CAS 27018-76-4

1-(Phenylmethyl)-1H-indole-3-carboxylic acid

Description:

1-(Phenylmethyl)-1H-indole-3-carboxylic acid, also known by its CAS number 27018-76-4, is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a phenylmethyl group (benzyl group) attached to the nitrogen of the indole, as well as a carboxylic acid functional group at the 3-position of the indole ring. The presence of the carboxylic acid group contributes to its acidic properties and potential for hydrogen bonding, influencing its solubility and reactivity. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of drugs targeting various biological pathways. Its structural characteristics suggest potential interactions with biological macromolecules, which could be explored in medicinal chemistry. Additionally, the compound's stability, solubility, and reactivity can be influenced by the surrounding environment, including pH and solvent conditions.

Formula: C₁₆H₁₃NO₂

InChI: InChI=1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)

InChI key: InChIKey=LVYDDRHDOKXFMW-UHFFFAOYSA-N

SMILES: C(N1C=2C(C(C(O)=O)=C1)=CC=CC2)C3=CC=CC=C3

Synonyms:

• 1-(Phenylmethyl)-1H-indole-3-carboxylic acid
• 1-Benzylindole-3-carboxylic acid crystalline
• 1-benzyl-1H-indole-3-carboxylate
• 1-benzyl-1H-indole-3-carboxylic acid
• 1H-Indole-3-carboxylic acid, 1-(phenylmethyl)-
• Indole-3-carboxylic acid, 1-benzyl-
• 1-Benzylindole-3-carboxylic acid

1-benzyl-1H-indole-3-carboxylic acid

CAS: 27018-76-4

Purity: 95.0%

Molecular weight: 251.28500366210938

Ref: 10-F349231

1-Benzyl-1H-indole-3-carboxylic acid

CAS: 27018-76-4

Formula: C₁₆H₁₃NO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 251.2799

Ref: IN-DA003E0C

1-Benzyl-1H-Indole-3-Carboxylic Acid

CAS: 27018-76-4

1-Benzyl-1H-Indole-3-Carboxylic Acid

Purity: 96%

Molecular weight: 251.28g/mol

Ref: 54-OR1009366

1-Benzylindole-3-Carboxylic Acid

Controlled Product

CAS: 27018-76-4

1-Benzylindole-3-carboxylic acid is a bioactive molecule that has been shown to inhibit the activity of histamine, which is a neurotransmitter involved in inflammatory reactions. 1-Benzylindole-3-carboxylic acid has an affinity ligand for binding to the H1 receptor and can be used as an antihistaminic agent. It also has antihistaminic effects by inhibiting the release of histamine from mast cells and basophils, which are two types of white blood cells that are involved in allergic reactions. The pharmacophore model for 1-benzylindole-3-carboxylic acid suggests that it could be used as an antihistamine or anticholinergic.

Formula: C₁₆H₁₃NO₂

Purity: Min. 95%

Molecular weight: 251.28 g/mol

Ref: 3D-FB56800