2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid
TL;DR: 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid (CAS 291289-41-3) is a chemical compound with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-1,3-dihydrobenzimidazole-4-carboxylic acid
Also Known As: 2-Oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylic acid, 2-oxo-1,3-dihydrobenzimidazole-4-carboxylic acid, 1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-, 2-Oxo-2,3-dihydrobenzimidazole-4-carboxylic Acid, 2,3-Dihydro-2-oxo-1H-Benzimidazole-4-carboxylic acid
| Molecular Formula | C8H6N2O3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 0.5544 |
| Topological Polar Surface Area | 85.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.03784 |
| Heavy Atoms | 13 |
| Complexity | 523.4138 |
Chemical Identifiers
| CAS Number | 291289-41-3 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)NC(=O)N2)C(=O)O |
Product Overview
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid (CAS 291289-41-3), with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol. IUPAC: 2-oxo-1,3-dihydrobenzimidazole-4-carboxylic acid.
Chemical Property Profile of 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid
Property Insights of 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid
The XLogP value of 0.5544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid. The TPSA of 85.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid has 3 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 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid?
The CAS number of 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid is 291289-41-3.
What is the molecular formula of 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid?
The molecular formula of 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid is C8H6N2O3.
What is the molecular weight of 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid?
The molecular weight of 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid is 178.04 g/mol.
Where can I buy 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid?
You can request a quote for 2-oxo-2,3-dihydro-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 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.