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(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

CAS 627871-22-1Formula C18H19FN2O3MW 330.4PubChem 5273775

(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid is a complex organic compound featuring a pyrano[3,4-b]indole core. With a molecular formula of C18H19FN2O3 and a molecular weight of 330.40, this chiral compound is classified as research-oriented and research-oriented, making it of interest in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: BLMMDSMMSYATKY-GOSISDBHSA-NC18H19FN2O3 | MW 330.4

Chemical Identity

Molecular Formula

C18H19FN2O3

Molecular Weight

330.4 g/mol

Exact Mass

330.137971

PubChem CID

5273775

IUPAC Name

2-[(1R)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid

SMILES String

CCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)cc(F)c(C#N)c21

Names & Synonyms

(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)aceticacid[(1R)-5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acidPyrano[3,4-b]indole-1-acetic acid, 5-cyano-6-fluoro-1,3,4,9-tetrahydro-8-methyl-1-propyl-, (1R)-
External Identifiers
SCHEMBL791476CHEMBL222816DTXSID40414960MB14476

Catalog Overview

This compound, identified by CAS 627871-22-1, is a chiral acetic acid derivative incorporating a fused pyrano[3,4-b]indole ring system. The structure includes a cyano group, a fluorine atom, a methyl group, and a propyl chain, contributing to its unique chemical properties. Its (1R)-stereochemistry at the C1 position of the pyrano[3,4-b]indole core is specified. As a research-oriented and research-oriented molecule, it serves as a valuable building block or lead compound for synthetic organic chemistry and pharmaceutical research, particularly in the exploration of novel research agents.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

180.0 °C

Boiling Point

550.0 °C

Density

1.37 g/cm³

Water Solubility

Sparingly soluble

Flash Point

311.2 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

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