![2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid structure](/static/products/1088/108801-39-4.webp)
2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid
TL;DR: 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid (CAS 108801-39-4) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid
Also Known As: 2-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid, 2-[(3,5-dimethyl-4h-1,2,4-triazol-4-yl)carbamoyl]benzoic acid, Phthalamic acid, N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 108801-39-4 |
|---|---|
| SMILES | CC1=NN=C(N1NC(=O)C2=CC=CC=C2C(=O)O)C |
| InChIKey | ZUFVMQOLEVOCCF-UHFFFAOYSA-N |
Product Overview
2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid (CAS 108801-39-4), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid
Property Insights of 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid has 2 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-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid?
The CAS number of 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid is 108801-39-4.
What is the molecular formula of 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid?
The molecular formula of 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid is C12H12N4O3.
What is the molecular weight of 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid?
The molecular weight of 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid is 260.09 g/mol.
Where can I buy 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid?
You can request a quote for 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]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-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.