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Formulation and process · Synthesis and process development

“We have the target structure, but no route we want to rely on yet.”

Synthesis route planning: retrosynthesis and route scouting

Before the first step runs in the lab, the route decides on cost, impurities and supply chains. CovaSyn breaks your target molecule down backwards to purchasable building blocks and lays out alternative strategies side by side, every step reviewed by our experts. You receive a report that your expert reviews and uses as the basis for lab planning.

Starting point

When you need this

  • There is no reliable synthetic route yet for a new target molecule or intermediate.
  • The route from research is moving into process development, and you want to see alternatives first.
  • A building block is hard to source, and you need a second route as a fallback.
  • You want to know early which intermediates will later have to be controlled as mutagenic impurities.

If nothing changes

What it costs when the case stays open

  • Weeks go into literature searches and brainstorming before a single step runs.
  • Synthesis starts on the first route that comes to mind and later runs into bottlenecks with building blocks or reagents.
  • Critical intermediates only surface during process validation and add control effort.

Result

What you get

  • Alternative routes side by side

    Several strategies for the same target molecule, for example with the key steps in reverse order, shown step by step.

  • Every step reviewed

    All intermediates are valid structures, and our experts review every step for chemical plausibility before you receive the report.

  • Building blocks and reagents as a list

    Where each route ends: purchasable building blocks and required reagents listed separately, as the basis for quotes and orders.

  • Critical steps flagged

    Intermediates and reagents with structural alerts for mutagenicity are flagged, with a first ICH M7 classification to inform your route choice.

How it works

From an open case to a signed-off report

  • 1. Describe the case

    In the initial call, 30 minutes on Microsoft Teams. We tell you honestly whether we can solve your problem.

  • 2. Send the data

    If you wish, we sign a non-disclosure agreement first, then you send the data. We run the evaluation, typically within 5 working days once we have your complete data.

  • 3. Sign off the report

    You receive the result with reasoning and input data. Your expert reviews and approves it.

CovaSyn

What we evaluate for this

Every number is computed and reproducible, predictions state their uncertainty. Every evaluation is documented with its input data and reasoning so your expert can review and sign it off.

  • Target molecule broken down backwards

    Retrosynthetic disconnection down to purchasable building blocks, with alternative strategies instead of a single answer.

  • Structures and properties checked

    Validity of every structure, purchasability of building blocks and physicochemical properties of the intermediates.

  • Risk of intermediates assessed

    Structural alerts and a first ICH M7 classification for intermediates, starting materials and reagents.

Audience

Who it is for

For process development, CMC and synthesis labs at CDMOs, contract labs and specialty chemicals companies who need to choose a route, secure it or add an alternative.

What the computation does not replace

  • A route proposal is not a lab protocol. It gives no reaction conditions or yields; conditions, yields and selectivity are confirmed by the experiment.
  • A route ends at building blocks considered purchasable. For complex targets some intermediates may remain without a purchasable building block, and the report says so openly. Availability, purity and lead time are checked by your purchasing team with the supplier.
  • Protecting group strategy, stereochemistry and suitability for scale are assessed by your expert alongside the report; the decision stays with your team.

Insights

Read on

Questions

Common questions

What is retrosynthesis?

Retrosynthesis breaks a target molecule down backwards into simpler precursors until only purchasable building blocks remain. The forward synthetic route follows from this breakdown. CovaSyn lays out several strategies side by side so you are not tied to the first route that comes up.

What is route scouting?

Route scouting means searching for and comparing several possible synthetic routes to a molecule before lab time and material are committed. Typical criteria are the number of steps, availability of building blocks, critical reagents and impurities that will have to be controlled later.

How early can I spot mutagenic intermediates in a route?

Already in the route proposal. Alkylating intermediates such as alkyl halides or sulfonate esters carry known structural alerts. CovaSyn flags such steps and classifies them under ICH M7 so you can factor the control strategy into the route choice.

Who can plan a synthetic route for us?

CovaSyn does this as an Expert Service: you describe the target molecule and question in the initial call, we agree on scope and criteria, and you typically receive the report within 5 working days once we have your data. Handled confidentially from the start, including unpublished structures.

Can our team plan routes itself?

Yes. Your team can use the same route planning itself, directly on the drawn molecule; we show you how that is set up in the initial call.

Formulation and process

Related problems we solve

Free PDF

Results you can rely on

Our beginner's guide for chemistry, pharma and biotech: how to tell an estimate from a calculation, seven questions to ask of every result and six questions to ask every provider. 8 pages.

Get the guide

Next step

Tell us about your target molecule.

30 minutes on Microsoft Teams with the CovaSyn team. If it is not a fit, we will say so.