![methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate structure](/static/products/3266/326616-69-7.webp)
methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate
TL;DR: methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate (CAS 326616-69-7) is a chemical compound with molecular formula C11H9ClN4O3 and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate
Also Known As: methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate, methyl 5-(4-chlorobenzamido)-1H-1,2,4-triazole-3-carboxylate, methyl 3-[(4-chlorophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate, 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester, 3-[[(4-chlorophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester
| Molecular Formula | C11H9ClN4O3 |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 1.497 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.03632 |
| Heavy Atoms | 19 |
| Complexity | 608.6578 |
Chemical Identifiers
| CAS Number | 326616-69-7 |
|---|---|
| SMILES | COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate (CAS 326616-69-7), with molecular formula C11H9ClN4O3 and molecular weight 280.04 g/mol. IUPAC: methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate
Property Insights of methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate
The XLogP value of 1.497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate 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 methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate?
The CAS number of methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate is 326616-69-7.
What is the molecular formula of methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate?
The molecular formula of methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate is C11H9ClN4O3.
What is the molecular weight of methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate?
The molecular weight of methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate is 280.04 g/mol.
Where can I buy methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate?
You can request a quote for methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.