![2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide structure](/static/products/6132/613251-47-1.webp)
2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide
TL;DR: 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide (CAS 613251-47-1) is a chemical compound with molecular formula C29H23ClN4O3S and molecular weight 542.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide, 2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide, 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide, 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-(4-phenoxyphenyl)acetamide
| Molecular Formula | C29H23ClN4O3S |
|---|---|
| Molecular Weight | 542.12 g/mol |
| LogP | 7.1194 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.1179 |
| Heavy Atoms | 38 |
| Complexity | 1507.0308 |
Chemical Identifiers
| CAS Number | 613251-47-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide (CAS 613251-47-1), with molecular formula C29H23ClN4O3S and molecular weight 542.12 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide
Property Insights of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide
The XLogP value of 7.1194 indicates that 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide. Following Lipinski's Rule of Five, 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide?
The CAS number of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide is 613251-47-1.
What is the molecular formula of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide?
The molecular formula of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide is C29H23ClN4O3S.
What is the molecular weight of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide?
The molecular weight of 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide is 542.12 g/mol.
Where can I buy 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide?
You can request a quote for 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenox yphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.