![4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide structure](/static/products/861/861109-85-5.png)
4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
TL;DR: 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide (CAS 861109-85-5) is a chemical compound with molecular formula C23H18ClN5O2S and molecular weight 463.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide, 4-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-{2-[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
| Molecular Formula | C23H18ClN5O2S |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | 4.4174 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.08698 |
| Heavy Atoms | 32 |
| Complexity | 1241.8892 |
Chemical Identifiers
| CAS Number | 861109-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)N |
Product Overview
4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide (CAS 861109-85-5), with molecular formula C23H18ClN5O2S and molecular weight 463.09 g/mol. IUPAC: 4-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
Property Insights of 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide
The XLogP value of 4.4174 indicates that 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide. Following Lipinski's Rule of Five, 4-{2-[4-(4-Chlorophenyl)-5-phenyl-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-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
The CAS number of 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide is 861109-85-5.
What is the molecular formula of 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
The molecular formula of 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide is C23H18ClN5O2S.
What is the molecular weight of 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
The molecular weight of 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide is 463.09 g/mol.
Where can I buy 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
You can request a quote for 4-{2-[4-(4-Chlorophenyl)-5-phenyl-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-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.