2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸
TL;DR: 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 (CAS 212517-01-6) 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-(1,2,4-三唑-4-基氨基甲酰)苯甲酸
2-(1,2,4-triazol-4-ylcarbamoyl)benzoic acid
Also Known As: 2-(1,2,4-triazol-4-ylcarbamoyl)benzoic acid, CL 2989, phthalic acid 1,2,4-triazol-4-ylamide, NCI60_031427, 2-[(4H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 212517-01-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NN2C=NN=C2)C(=O)O |
| InChIKey | JXXNYVAHSXIBNI-UHFFFAOYSA-N |
Product Overview
2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 (CAS 212517-01-6), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: 2-(1,2,4-triazol-4-ylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸
Property Insights of 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸. Following Lipinski's Rule of Five, 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 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-(1,2,4-三唑-4-基氨基甲酰)苯甲酸?
The CAS number of 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 is 212517-01-6.
What is the molecular formula of 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸?
The molecular formula of 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 is C10H8N4O3.
What is the molecular weight of 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸?
The molecular weight of 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 is 232.06 g/mol.
Where can I buy 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸?
You can request a quote for 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2,4-三唑-4-基氨基甲酰)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.