4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid
TL;DR: 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid (CAS 204514-08-9) is a chemical compound with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-chloro-1H-benzimidazol-2-yl)benzoic acid
Also Known As: 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid, 4-(6-chloro-1H-benzimidazol-2-yl)benzoic acid, 4-(5-chlorobenzimidazol-2-yl)benzoic acid, NCI60_019804, Benzoic acid, 4-(5-chloro-1H-benzimidazol-2-yl)-
| Molecular Formula | C14H9ClN2O2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.03525 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 204514-08-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)O |
| InChIKey | NZFGXUUCPFNSSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid (CAS 204514-08-9), with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol. IUPAC: 4-(6-chloro-1H-benzimidazol-2-yl)benzoic acid.
Chemical Property Profile of 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid
Property Insights of 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid
The XLogP value of 3.4 indicates that 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid has 2 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 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid?
The CAS number of 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid is 204514-08-9.
What is the molecular formula of 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid?
The molecular formula of 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid is C14H9ClN2O2.
What is the molecular weight of 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid?
The molecular weight of 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid is 272.04 g/mol.
Where can I buy 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid?
You can request a quote for 4-(5-chloro-1H-benzimidazol-2-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 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-chloro-1H-benzimidazol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.