6-Chloro-1H-indole-2-carboxylic acid
TL;DR: 6-Chloro-1H-indole-2-carboxylic acid (CAS 16732-75-5) is a chemical compound with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1H-indole-2-carboxylic acid
Also Known As: 6-Chloroindole-2-carboxylic acid, 6-Chloro-1H-indole-2-carboxylic acid, 6-Chloroindole-2-carboxylicacid, 1H-Indole-2-carboxylic acid, 6-chloro-, 2-carboxy-6-chloroindole
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.00871 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 16732-75-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=C2)C(=O)O |
| InChIKey | BKPSJOSKWKTWAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-1H-indole-2-carboxylic acid (CAS 16732-75-5), with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol. IUPAC: 6-chloro-1H-indole-2-carboxylic acid.
Chemical Property Profile of 6-Chloro-1H-indole-2-carboxylic acid
Property Insights of 6-Chloro-1H-indole-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-1H-indole-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 6-Chloro-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-1H-indole-2-carboxylic acid has 2 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 6-Chloro-1H-indole-2-carboxylic acid?
The CAS number of 6-Chloro-1H-indole-2-carboxylic acid is 16732-75-5.
What is the molecular formula of 6-Chloro-1H-indole-2-carboxylic acid?
The molecular formula of 6-Chloro-1H-indole-2-carboxylic acid is C9H6ClNO2.
What is the molecular weight of 6-Chloro-1H-indole-2-carboxylic acid?
The molecular weight of 6-Chloro-1H-indole-2-carboxylic acid is 195.01 g/mol.
Where can I buy 6-Chloro-1H-indole-2-carboxylic acid?
You can request a quote for 6-Chloro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.