![4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide structure](/static/products/896/896850-54-7.png)
4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
TL;DR: 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide (CAS 896850-54-7) is a chemical compound with molecular formula C18H16ClN5O2S and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide, 4-{2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
| Molecular Formula | C18H16ClN5O2S |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 2.9652 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.07132 |
| Heavy Atoms | 27 |
| Complexity | 987.672 |
Chemical Identifiers
| CAS Number | 896850-54-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC(=CC=C3)Cl |
Product Overview
4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide (CAS 896850-54-7), with molecular formula C18H16ClN5O2S and molecular weight 401.07 g/mol. IUPAC: 4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
Property Insights of 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
The XLogP value of 2.9652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide. Following Lipinski's Rule of Five, 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide 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 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
The CAS number of 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide is 896850-54-7.
What is the molecular formula of 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
The molecular formula of 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide is C18H16ClN5O2S.
What is the molecular weight of 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
The molecular weight of 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide is 401.07 g/mol.
Where can I buy 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
You can request a quote for 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[5-(3-Chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.