3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid
TL;DR: 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid (CAS 328562-82-9) 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.
3-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
Also Known As: 3-(1H-1,2,4-triazole-3-carboxamido)benzoic acid, 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid, 3-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid, 3-(2H-1,2,4-triazole-3-carbonylamino)benzoic Acid, BENZOIC ACID,3-[(1H-1,2,4-TRIAZOL-5-YLCARBONYL)AMI
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 0.7552 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 550.4385 |
Chemical Identifiers
| CAS Number | 328562-82-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=NC=NN2)C(=O)O |
Product Overview
3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid (CAS 328562-82-9), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: 3-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid.
Chemical Property Profile of 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid
Property Insights of 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid
The XLogP value of 0.7552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid. Following Lipinski's Rule of Five, 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid has 3 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-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid?
The CAS number of 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid is 328562-82-9.
What is the molecular formula of 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid?
The molecular formula of 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid is C10H8N4O3.
What is the molecular weight of 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid?
The molecular weight of 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid is 232.06 g/mol.
Where can I buy 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid?
You can request a quote for 3-(1H-1,2,4-Triazole-5-carboxamido)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-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,2,4-Triazole-5-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.