N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861649-66-3) is a chemical compound with molecular formula C27H27N5O4S and molecular weight 517.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-acetamido-2-methoxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-[4-(4-ethoxyphenyl)-5-phenyl(1,2,4-triaz ol-3-ylthio)]acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C27H27N5O4S |
|---|---|
| Molecular Weight | 517.18 g/mol |
| LogP | 5.0308 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.1784 |
| Heavy Atoms | 37 |
| Complexity | 1373.5742 |
Chemical Identifiers
| CAS Number | 861649-66-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC)C4=CC=CC=C4 |
Product Overview
N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861649-66-3), with molecular formula C27H27N5O4S and molecular weight 517.18 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 5.0308 indicates that N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide has 2 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-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 861649-66-3.
What is the molecular formula of N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is C27H27N5O4S.
What is the molecular weight of N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 517.18 g/mol.
Where can I buy N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.