6-bromo-1H-1,3-benzodiazole-4-carboxylic acid
TL;DR: 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid (CAS 255064-08-5) is a chemical compound with molecular formula C8H5BrN2O2 and molecular weight 239.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1H-benzimidazole-4-carboxylic acid
Also Known As: 6-bromo-1H-benzoimidazole-4-carboxylic Acid, 6-BROMO-1H-BENZO[D]IMIDAZOLE-4-CARBOXYLIC ACID, 6-bromo-1H-benzimidazole-4-carboxylic acid, 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid, 1H-Benzimidazole-4-carboxylic acid, 6-bromo-
| Molecular Formula | C8H5BrN2O2 |
|---|---|
| Molecular Weight | 239.95 g/mol |
| LogP | 2.0236 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.95345 |
| Heavy Atoms | 13 |
| Complexity | 477.9488 |
Chemical Identifiers
| CAS Number | 255064-08-5 |
|---|---|
| SMILES | C1=C(C=C2C(=C1C(=O)O)N=CN2)Br |
Product Overview
6-bromo-1H-1,3-benzodiazole-4-carboxylic acid (CAS 255064-08-5), with molecular formula C8H5BrN2O2 and molecular weight 239.95 g/mol. IUPAC: 6-bromo-1H-benzimidazole-4-carboxylic acid.
Chemical Property Profile of 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid
Property Insights of 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid
The XLogP value of 2.0236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 6-bromo-1H-1,3-benzodiazole-4-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-bromo-1H-1,3-benzodiazole-4-carboxylic acid?
The CAS number of 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid is 255064-08-5.
What is the molecular formula of 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid?
The molecular formula of 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid is C8H5BrN2O2.
What is the molecular weight of 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid?
The molecular weight of 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid is 239.95 g/mol.
Where can I buy 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid?
You can request a quote for 6-bromo-1H-1,3-benzodiazole-4-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-bromo-1H-1,3-benzodiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-1H-1,3-benzodiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.