![3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid structure](/static/products/915/915872-59-2.png)
3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid
TL;DR: 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid (CAS 915872-59-2) is a chemical compound with molecular formula C16H12N4O3 and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid
Also Known As: 3-[[3-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic Acid, 3-(3-(4H-1,2,4-triazol-4-yl)benzamido)benzoic acid, 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid
| Molecular Formula | C16H12N4O3 |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 2.2178 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.09094 |
| Heavy Atoms | 23 |
| Complexity | 859.2766 |
Chemical Identifiers
| CAS Number | 915872-59-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N3C=NN=C3)C(=O)O |
Product Overview
3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid (CAS 915872-59-2), with molecular formula C16H12N4O3 and molecular weight 308.09 g/mol. IUPAC: 3-[[3-(1,2,4-triazol-4-yl)benzoyl]amino]benzoic acid.
Chemical Property Profile of 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid
Property Insights of 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid
The XLogP value of 2.2178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid has 2 hydrogen bond donor(s) and 4 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 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid?
The CAS number of 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid is 915872-59-2.
What is the molecular formula of 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid?
The molecular formula of 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid is C16H12N4O3.
What is the molecular weight of 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid?
The molecular weight of 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid is 308.09 g/mol.
Where can I buy 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid?
You can request a quote for 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[3-(4H-1,2,4-triazol-4-yl)phenyl]carbonyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.