![2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid structure](/static/products/7206/720676-89-1.webp)
2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid
TL;DR: 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid (CAS 720676-89-1) is a chemical compound with molecular formula C17H13N3O5 and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoic acid
Also Known As: AE-641/32255042, 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid, 2-[(2-{[(methoxy)carbonyl]amino}-1h-benzimidazol-5-yl)carbonyl]benzoic acid
| Molecular Formula | C17H13N3O5 |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 2.6704 |
| Topological Polar Surface Area | 121.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.0855 |
| Heavy Atoms | 25 |
| Complexity | 992.86694 |
Chemical Identifiers
| CAS Number | 720676-89-1 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid (CAS 720676-89-1), with molecular formula C17H13N3O5 and molecular weight 339.09 g/mol. IUPAC: 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoic acid.
Chemical Property Profile of 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid
Property Insights of 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid
The XLogP value of 2.6704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid. The TPSA of 121.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid has 3 hydrogen bond donor(s) and 5 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-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid?
The CAS number of 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid is 720676-89-1.
What is the molecular formula of 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid?
The molecular formula of 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid is C17H13N3O5.
What is the molecular weight of 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid?
The molecular weight of 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid is 339.09 g/mol.
Where can I buy 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid?
You can request a quote for 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)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-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl}carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.