CAS 853724-02-4

3-(Methoxycarbonyl)-1H-indole-1-acetic acid

Description:

3-(Methoxycarbonyl)-1H-indole-1-acetic acid, identified by its CAS number 853724-02-4, is a chemical compound that features an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound is characterized by the presence of a methoxycarbonyl group (-COOCH3) and an acetic acid moiety, contributing to its potential as a bioactive molecule. The methoxycarbonyl group enhances its solubility and reactivity, while the indole structure is known for its role in various biological activities, including anti-inflammatory and anticancer properties. The compound may exhibit moderate to high polarity due to the presence of both the carboxylic acid and methoxy groups, influencing its interactions in biological systems. Additionally, its structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. As with many indole derivatives, it may also participate in hydrogen bonding and other intermolecular interactions, affecting its stability and reactivity in various environments.

Formula: C₁₂H₁₁NO₄

InChI: InChI=1S/C12H11NO4/c1-17-12(16)9-6-13(7-11(14)15)10-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H,14,15)

InChI key: InChIKey=RVDJXYPBINWDMV-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=2C(N(CC(O)=O)C1)=CC=CC2

Synonyms:

• 3-(Methoxycarbonyl)-1H-indole-1-acetic acid
• 1H-Indole-1-acetic acid, 3-(methoxycarbonyl)-

2-[3-(Methoxycarbonyl)-1H-indol-1-yl]acetic acid

Controlled Product

CAS: 853724-02-4

Versatile small molecule scaffold

Formula: C₁₂H₁₁NO₄

Purity: Min. 95%

Molecular weight: 233.22 g/mol

Ref: 3D-DJB72402