MolGraphRequest Quote

Research chemical

Bay R3401

CAS Number: 100276-03-7

Chemical structure
Bay R3401 molecular structure, CAS 100276-03-7

Product details

Identity & specification

Molecular formula
C20H22ClNO4
Molecular weight
375.8 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

9842599

Exact Mass

375.123736

InChIKey

NPUSXSOBPNHOPH-UHFFFAOYSA-N

IUPAC Name

propan-2-yl 4-(2-chlorophenyl)-1-ethyl-2-methyl-5-oxo-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

SMILES String

CCN1C(C)=C(C(=O)OC(C)C)C(c2ccccc2Cl)C2=C1COC2=O

Physical Properties

No physical property values available.

Show more physical data

XLogP

3.7

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

26

H-bond acceptors

5

H-bond donors

0

Rotatable bonds

4

Ring count

3

Aromatic rings

1

Topological polar surface area

55.84 Ų

Computed LogP

3.8

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Bay R3401 (CAS 100276-03-7) is an English MolGraph catalog reference, molecular formula C20H22ClNO4 and molecular weight 375. 80 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, synthetic chemistry workflows, research chemical sourcing.

Documentation needs

Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.

Applications & Classification

Synthetic ChemistryHeterocyclic Building BlocksResearch Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • and reaction activity.
  • carbon monoxide, carbon dioxide, hydrogen chloride, nitrogen oxides.

Disposal

  • The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
  • Contact a professional institution with a waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • Use self-contained breathing apparatus if necessary.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarityEthyl 2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoateView related compound →Structure similarityN-allyl-2-((1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamideView related compound →Structure similarityN-(5-chloro-2-methylphenyl)-2-[1-(furan-2-ylcarbonyl)-3-oxopiperazin-2-yl]acetamideView related compound →Structure similarity2-Acetamidophenyl 4-chloronaphthalene-1-sulfonateView related compound →Structure similarityN-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamideView related compound →

Procurement questions

What are the key identifiers for Bay R3401 (CAS 100276-03-7)?

Bay R3401 is identified by CAS 100276-03-7, with molecular formula C20H22ClNO4, molecular weight 375.8, InChIKey NPUSXSOBPNHOPH-UHFFFAOYSA-N.

Can I request a COA for CAS 100276-03-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Bay R3401?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 100276-03-7 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.