1-benzyl-1H-indole-3-carboxylic acid
TL;DR: 1-benzyl-1H-indole-3-carboxylic acid (CAS 27018-76-4) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylindole-3-carboxylic acid
Also Known As: 1-Benzylindole-3-carboxylic acid, 1-Benzyl-1H-indole-3-carboxylic acid, 2-Fluoro-5-formylbenzonitrile, 1-benzylindol-3-carboxylic acid, N-benzylindole-3-carboxylic acid
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 27018-76-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O |
| InChIKey | LVYDDRHDOKXFMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-benzyl-1H-indole-3-carboxylic acid (CAS 27018-76-4), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 1-benzylindole-3-carboxylic acid.
Chemical Property Profile of 1-benzyl-1H-indole-3-carboxylic acid
Property Insights of 1-benzyl-1H-indole-3-carboxylic acid
The XLogP value of 3.1 indicates that 1-benzyl-1H-indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 1-benzyl-1H-indole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-1H-indole-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-1H-indole-3-carboxylic acid?
The CAS number of 1-benzyl-1H-indole-3-carboxylic acid is 27018-76-4.
What is the molecular formula of 1-benzyl-1H-indole-3-carboxylic acid?
The molecular formula of 1-benzyl-1H-indole-3-carboxylic acid is C16H13NO2.
What is the molecular weight of 1-benzyl-1H-indole-3-carboxylic acid?
The molecular weight of 1-benzyl-1H-indole-3-carboxylic acid is 251.09 g/mol.
Where can I buy 1-benzyl-1H-indole-3-carboxylic acid?
You can request a quote for 1-benzyl-1H-indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.