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Research chemical

2-(3-Oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoic acid

CAS Number: 1009332-12-0

Chemical structure
2-(3-Oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoic acid molecular structure, CAS 1009332-12-0

Product details

Identity & specification

Molecular formula
C18H17N3O4
Molecular weight
339.3 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

45370733

Exact Mass

339.121906

InChIKey

PTEUELDWMJPCTL-UHFFFAOYSA-N

IUPAC Name

2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoic acid

SMILES String

O=C1CN(C(=O)NC(Cc2ccccc2)C(=O)O)c2ccccc2N1

Physical Properties

No physical property values available.

Show more physical data

XLogP

1.7

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

25

H-bond acceptors

7

H-bond donors

3

Rotatable bonds

4

Ring count

3

Aromatic rings

2

Topological polar surface area

98.74 Ų

Computed LogP

1.85

Fragment-like structure rule

No

Lead-like structure rule

Yes

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

2-(3-Oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoic acid (CAS 1009332-12-0) is listed in the Advanced Chemicals portfolio, with molecular formula C18H17N3O4 and molecular weight 339. 30 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.

Applications & Classification

Organic Building BlocksSynthetic 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, 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 similarityN-(2,3-dihydro-1H-indol-1-ylcarbonyl)-L-phenylalanineView related compound →Structure similarityN-[(2S)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamideView related compound →Structure similarityN-[(2S)-1-[(3,4-dichlorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamideView related compound →Structure similarity4-Benzyl-1,3-dihydroquinoxalin-2-oneView related compound →Structure similarity3-hydroxy-N-[(2S)-1-oxo-3-phenyl-1-(phenylamino)propan-2-yl]quinoxaline-1(2H)-carboxamideView related compound →

Procurement questions

What are the key identifiers for 2-(3-Oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoic acid (CAS 1009332-12-0)?

2-(3-Oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoic acid is identified by CAS 1009332-12-0, with molecular formula C18H17N3O4, molecular weight 339.3, InChIKey PTEUELDWMJPCTL-UHFFFAOYSA-N.

Can I request a COA for CAS 1009332-12-0?

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

Can I request supplier SDS for 2-(3-Oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoic acid?

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

Is CAS 1009332-12-0 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.