2-(1H-1,3-benzodiazol-1-yl)benzoic acid
TL;DR: 2-(1H-1,3-benzodiazol-1-yl)benzoic acid (CAS 29003-05-2) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzimidazol-1-yl)benzoic acid
Also Known As: 2-(1H-1,3-benzodiazol-1-yl)benzoic acid, starbld0046955, 2-Benzoimidazol-1-yl-benzoic acid, 2-(benzimidazol-1-yl)benzoic acid, 1-Phenylbenzimidazole deriv. 16
| Molecular Formula | C14H10N2O2 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07423 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 29003-05-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N2C=NC3=CC=CC=C32 |
| InChIKey | SSXQFHWSILYDFN-UHFFFAOYSA-N |
Product Overview
2-(1H-1,3-benzodiazol-1-yl)benzoic acid (CAS 29003-05-2), with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol. IUPAC: 2-(benzimidazol-1-yl)benzoic acid.
Chemical Property Profile of 2-(1H-1,3-benzodiazol-1-yl)benzoic acid
Property Insights of 2-(1H-1,3-benzodiazol-1-yl)benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,3-benzodiazol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 2-(1H-1,3-benzodiazol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,3-benzodiazol-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-(1H-1,3-benzodiazol-1-yl)benzoic acid?
The CAS number of 2-(1H-1,3-benzodiazol-1-yl)benzoic acid is 29003-05-2.
What is the molecular formula of 2-(1H-1,3-benzodiazol-1-yl)benzoic acid?
The molecular formula of 2-(1H-1,3-benzodiazol-1-yl)benzoic acid is C14H10N2O2.
What is the molecular weight of 2-(1H-1,3-benzodiazol-1-yl)benzoic acid?
The molecular weight of 2-(1H-1,3-benzodiazol-1-yl)benzoic acid is 238.07 g/mol.
Where can I buy 2-(1H-1,3-benzodiazol-1-yl)benzoic acid?
You can request a quote for 2-(1H-1,3-benzodiazol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,3-benzodiazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,3-benzodiazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.