![N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/6932/693228-70-5.webp)
N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 693228-70-5) is a chemical compound with molecular formula C27H27ClN4O4S and molecular weight 538.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chlorophenyl)-2-((4-phenethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chlorophenyl)-2-[[4-phenethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chlorophenyl)-2-[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)(1,2,4-triaz ol-3-ylthio)]acetamide, N-(4-CHLOROPHENYL)-2-{[4-PHENETHYL-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C27H27ClN4O4S |
|---|---|
| Molecular Weight | 538.14 g/mol |
| LogP | 5.5978 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 538.14417 |
| Heavy Atoms | 37 |
| Complexity | 1321.5308 |
Chemical Identifiers
| CAS Number | 693228-70-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 693228-70-5), with molecular formula C27H27ClN4O4S and molecular weight 538.14 g/mol. IUPAC: N-(4-chlorophenyl)-2-[[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.5978 indicates that N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 693228-70-5.
What is the molecular formula of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C27H27ClN4O4S.
What is the molecular weight of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 538.14 g/mol.
Where can I buy N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.