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AI-Driven Chemical Synthesis & Manufacturing

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Chemstack AI

Unlock Molecules Across Industries

End to End Chemical R&D Excellence

Unifying the entire chemical lifecycle - from IP analysis and synthesis design to lab optimisation and commercial cost modelling into one intelligent workflow

Unifying the entire chemical lifecycle - from IP analysis and synthesis design to lab optimisation and commercial cost modelling into one intelligent workflow

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Reduction in Synthesis Time

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Fewer Experiment Iterations

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Batch Reproducibility

The Challenge: Bottlenecks in Traditional R&D

For decades, the pursuit of novel process chemistry has been hampered by critical roadblocks that impede innovation and result in expensive late-stage setbacks.

The IP Black Box

Manual literature & IP searches are slow and incomplete, creating significant downstream risk.

The Synthesis Gamble

Researchers must bet on pathways with little insight into likelihood of success.

The Experimental Trial-and-Error Trap

Endless lab experiments consume time, budget, and materials in a slow search for optimal conditions.

The Economic Viability Failure

Promising molecules are often abandoned late in the R&D process as they prove economically unviable.

Our Simple, Smart, and Scalable R&D Ecosystem: Chemstack AI

Built on custom, in-house transformer models, Chemstack AI is the bedrock of our R&D, powering every step with intelligence and predictive foresight.

Built on custom, in-house transformer models, Chemstack AI is the bedrock of our R&D, powering every step with intelligence and predictive foresight.

Literature
IQ

Extracting Chemistry Knowledge

Patent Claims

Literature Summary

Synthesis
IQ

Synthesising Scalable Pathways

Pathway Generation

Pathway Ranking

Costing
Intelligence

Modelling
Cost Scenarios

Real Time Pricing

Reagents Optimization

Experimentation
Assist

Recommending Optimized Reactions

Reaction Conditions

Reaction Procedure

How Chemstack AI Works!

Our platform modules work in concert to digitise and accelerate the entire R&D workflow turning complex chemistry tasks into clear, fast outcomes.

Our platform modules work in concert to digitise and accelerate the entire R&D workflow turning complex chemistry tasks into clear, fast outcomes.

Patents - CN109534961

  • Claim 1

    A method for inhibiting tyrosinase activity in a cell, comprising contacting the cell with an effective amount of 4-Butylresorcinol.

  • Claim 2

    A method for preparing 4-Butylresorcinol, comprising the step of reducing 4-butyrylresorcinol.

  • Claim 3

    A cosmetic composition comprising 4-Butylresorcinol and a cosmetically acceptable excipient.

  • Claim 4

    A method for reducing hyperpigmentation in skin, comprising topically applying to the skin a composition comprising an effective amount of 4-Butylresorcinol.

  • Claim 5

    The cosmetic composition according to claim 3, wherein the 4-Butylresorcinol is present in a concentration ranging from 0.01% to 1.0% by weight.

Patents - CN109534961

  • Claim 1

    A method for inhibiting tyrosinase activity in a cell, comprising contacting the cell with an effective amount of 4-Butylresorcinol.

  • Claim 2

    A method for preparing 4-Butylresorcinol, comprising the step of reducing 4-butyrylresorcinol.

  • Claim 3

    A cosmetic composition comprising 4-Butylresorcinol and a cosmetically acceptable excipient.

  • Claim 4

    A method for reducing hyperpigmentation in skin, comprising topically applying to the skin a composition comprising an effective amount of 4-Butylresorcinol.

  • Claim 5

    The cosmetic composition according to claim 3, wherein the 4-Butylresorcinol is present in a concentration ranging from 0.01% to 1.0% by weight.

Patents - CN109534961

  • Claim 1

    A method for inhibiting tyrosinase activity in a cell, comprising contacting the cell with an effective amount of 4-Butylresorcinol.

  • Claim 2

    A method for preparing 4-Butylresorcinol, comprising the step of reducing 4-butyrylresorcinol.

  • Claim 3

    A cosmetic composition comprising 4-Butylresorcinol and a cosmetically acceptable excipient.

  • Claim 4

    A method for reducing hyperpigmentation in skin, comprising topically applying to the skin a composition comprising an effective amount of 4-Butylresorcinol.

  • Claim 5

    The cosmetic composition according to claim 3, wherein the 4-Butylresorcinol is present in a concentration ranging from 0.01% to 1.0% by weight.

Literature Intelligence

Mines millions of patents and papers in seconds to extract key reactions, relevance scores, and freedom‑to‑operate insights, de-risking project from the very start.

IP Insights

FTO Analysis

Synthesis Intelligence

Retrosynthesis engine recommends pathways ranked by cost, feasibility, and score, enabling the researchers to choose the best path before ever entering the lab.

AI-Recommended Pathways

Feasibility Scoring

Synthesis

Suggesting Pathways on the basis of step, yield percentage and cost

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Synthesis

Suggesting Pathways on the basis of step, yield percentage and cost

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Synthesis

Suggesting Pathways on the basis of step, yield percentage and cost

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Real-time cost modeling

Here is your Comprehensive Cost Analysis

Material Consumption Analysis

Detailed breakdown of raw materials, reagents and solvents with recovery calculations

Analysis

Material Consumption

Yield Analysis

Cost Summary

AI Insights

CAS Number

Cost Consumption

Molecular Weight

Quantity

Raw Material Name

Real-time cost modeling

Here is your Comprehensive Cost Analysis

Material Consumption Analysis

Detailed breakdown of raw materials, reagents and solvents with recovery calculations

Analysis

Material Consumption

Yield Analysis

Cost Summary

AI Insights

CAS Number

Cost Consumption

Molecular Weight

Quantity

Raw Material Name

Real-time cost modeling

Here is your Comprehensive Cost Analysis

Material Consumption Analysis

Detailed breakdown of raw materials, reagents and solvents with recovery calculations

Analysis

Material Consumption

Yield Analysis

Cost Summary

AI Insights

CAS Number

Cost Consumption

Molecular Weight

Quantity

Raw Material Name

Detailed Costing

Generates granular, real-time cost projections for any synthesis route and simulates the financial impact of changing variables, ensuring that the chemical breakthrough is also a commercial success.

Real Time Pricing

Reagents Optimization

Intelligent Experiments

Bayesian optimisation engine intelligently guides the next reaction conditions and procedure, learning from every iteration. It converges on optimal reaction conditions faster, saving invaluable time and resources.

Optimized Procedures

Yield Predictions

Decarboxylation

2 steps

$128.63/kg

Score: 1.00

Read

Compare

Shortlist

Decarboxylation

2 steps

$128.63/kg

Score: 1.00

Read

Compare

Shortlist

Decarboxylation

2 steps

$128.63/kg

Score: 1.00

Read

Compare

Shortlist

Contact

Get in Touch with Us

Have questions or need any custom chemical across the globe?
Let us know by filling out the form, and we’ll be in touch!

Have questions or need any custom
chemical across the globe?

Let us know by filling out the form, and we’ll be in touch!

Mstack is an AI-native chemical R&D and manufacturing company. From intelligent route design to agile manufacturing, we accelerate R&D and deliver consistent, high-purity chemicals at speed and scale.

Mstack is an AI-native chemical R&D and manufacturing company. From intelligent route design to agile manufacturing, we accelerate R&D and deliver consistent, high-purity chemicals at speed and scale.

Created By Mstack Product Team

©2024 Mstack. All Rights Reserved

Created By Mstack Product Team

©2024 Mstack. All Rights Reserved