3-(1H-1,2,4-triazol-5-yl)benzoic acid
TL;DR: 3-(1H-1,2,4-triazol-5-yl)benzoic acid (CAS 876715-37-6) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-1,2,4-triazol-5-yl)benzoic acid
Also Known As: 3-(1H-1,2,4-triazol-5-yl)benzoic acid, null, 3-(2H-[1,2,4]Triazol-3-yl)-benzoic acid, CHEMBRDG-BB4002461, CHEMBRDG-BB 4002461
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.1699 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 450.84045 |
Chemical Identifiers
| CAS Number | 876715-37-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=NC=NN2 |
Product Overview
3-(1H-1,2,4-triazol-5-yl)benzoic acid (CAS 876715-37-6), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 3-(1H-1,2,4-triazol-5-yl)benzoic acid.
Chemical Property Profile of 3-(1H-1,2,4-triazol-5-yl)benzoic acid
Property Insights of 3-(1H-1,2,4-triazol-5-yl)benzoic acid
The XLogP value of 1.1699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-1,2,4-triazol-5-yl)benzoic acid. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-1,2,4-triazol-5-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(1H-1,2,4-triazol-5-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 3-(1H-1,2,4-triazol-5-yl)benzoic acid?
The CAS number of 3-(1H-1,2,4-triazol-5-yl)benzoic acid is 876715-37-6.
What is the molecular formula of 3-(1H-1,2,4-triazol-5-yl)benzoic acid?
The molecular formula of 3-(1H-1,2,4-triazol-5-yl)benzoic acid is C9H7N3O2.
What is the molecular weight of 3-(1H-1,2,4-triazol-5-yl)benzoic acid?
The molecular weight of 3-(1H-1,2,4-triazol-5-yl)benzoic acid is 189.05 g/mol.
Where can I buy 3-(1H-1,2,4-triazol-5-yl)benzoic acid?
You can request a quote for 3-(1H-1,2,4-triazol-5-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 3-(1H-1,2,4-triazol-5-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,2,4-triazol-5-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.