![2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid structure](/static/products/5455/54553-86-5.webp)
2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid
TL;DR: 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid (CAS 54553-86-5) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoic acid
Also Known As: 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid, 2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoic acid, phenethyl-phosphonic acid diethyl ester, 2-((1H-1,2,4-Triazol-5-yl)carbamoyl)benzoic acid, 2-(1h-1,2,4-triazol-3-ylcarbamoyl)benzoic acid
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 54553-86-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=NC=NN2)C(=O)O |
| InChIKey | HPIVPOVZQGVUOE-UHFFFAOYSA-N |
Product Overview
2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid (CAS 54553-86-5), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid
Property Insights of 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(1H-1,2,4-Triazol-5-ylamino)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-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid?
The CAS number of 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid is 54553-86-5.
What is the molecular formula of 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid?
The molecular formula of 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid is C10H8N4O3.
What is the molecular weight of 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid?
The molecular weight of 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid is 232.06 g/mol.
Where can I buy 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid?
You can request a quote for 2-[(1H-1,2,4-Triazol-5-ylamino)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-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1H-1,2,4-Triazol-5-ylamino)carbonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.