![2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid structure](/static/products/876/876718-01-3.png)
2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid
TL;DR: 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid (CAS 876718-01-3) is a chemical compound with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-ylmethyl)benzoic acid
Also Known As: D-glucoheptulose, 2-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, Sodium iodofluoroacetate, 2-(1,2,4-triazol-1-ylmethyl)benzoic acid, 2-((1H-1,2,4-Triazol-1-yl)methyl)benzoic acid
| Molecular Formula | C10H9N3O2 |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 1.0246 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.06947 |
| Heavy Atoms | 15 |
| Complexity | 465.27957 |
Chemical Identifiers
| CAS Number | 876718-01-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=NC=N2)C(=O)O |
Product Overview
2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid (CAS 876718-01-3), with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol. IUPAC: 2-(1,2,4-triazol-1-ylmethyl)benzoic acid.
Chemical Property Profile of 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid
Property Insights of 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid
The XLogP value of 1.0246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid has 1 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 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid?
The CAS number of 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid is 876718-01-3.
What is the molecular formula of 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid?
The molecular formula of 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid is C10H9N3O2.
What is the molecular weight of 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid?
The molecular weight of 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid is 203.07 g/mol.
Where can I buy 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid?
You can request a quote for 2-[(1H-1,2,4-triazol-1-yl)methyl]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-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.