4-bromo-1H-indole-2-carboxylic acid
TL;DR: 4-bromo-1H-indole-2-carboxylic acid (CAS 16732-64-2) is a chemical compound with molecular formula C9H6BrNO2 and molecular weight 238.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1H-indole-2-carboxylic acid
Also Known As: 4-bromo-1H-indole-2-carboxylic Acid, 4-Bromo-2-indolecarboxylic acid, 4-Bromoindole-2-carboxylic acid, 1H-INDOLE-2-CARBOXYLIC ACID, 4-BROMO-, benzo[b]thiophene-2-carbonitrile
| Molecular Formula | C9H6BrNO2 |
|---|---|
| Molecular Weight | 238.96 g/mol |
| LogP | 2.6286 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.95819 |
| Heavy Atoms | 13 |
| Complexity | 475.41946 |
Chemical Identifiers
| CAS Number | 16732-64-2 |
|---|---|
| SMILES | C1=CC2=C(C=C(N2)C(=O)O)C(=C1)Br |
Product Overview
4-bromo-1H-indole-2-carboxylic acid (CAS 16732-64-2), with molecular formula C9H6BrNO2 and molecular weight 238.96 g/mol. IUPAC: 4-bromo-1H-indole-2-carboxylic acid.
Chemical Property Profile of 4-bromo-1H-indole-2-carboxylic acid
Property Insights of 4-bromo-1H-indole-2-carboxylic acid
The XLogP value of 2.6286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1H-indole-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.09 Ų, 4-bromo-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 1 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 4-bromo-1H-indole-2-carboxylic acid?
The CAS number of 4-bromo-1H-indole-2-carboxylic acid is 16732-64-2.
What is the molecular formula of 4-bromo-1H-indole-2-carboxylic acid?
The molecular formula of 4-bromo-1H-indole-2-carboxylic acid is C9H6BrNO2.
What is the molecular weight of 4-bromo-1H-indole-2-carboxylic acid?
The molecular weight of 4-bromo-1H-indole-2-carboxylic acid is 238.96 g/mol.
Where can I buy 4-bromo-1H-indole-2-carboxylic acid?
You can request a quote for 4-bromo-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 4-bromo-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.