2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
TL;DR: 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 896803-66-0) is a chemical compound with molecular formula C25H22ClFN4O3S and molecular weight 512.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide, 2-{[5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-{5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)}-N-( 4-fluorophenyl)acetamide
| Molecular Formula | C25H22ClFN4O3S |
|---|---|
| Molecular Weight | 512.11 g/mol |
| LogP | 5.7683 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.1085 |
| Heavy Atoms | 35 |
| Complexity | 1265.6289 |
Chemical Identifiers
| CAS Number | 896803-66-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)COC4=CC=C(C=C4)Cl |
Product Overview
2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 896803-66-0), with molecular formula C25H22ClFN4O3S and molecular weight 512.11 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
Property Insights of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
The XLogP value of 5.7683 indicates that 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)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-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)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-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The CAS number of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is 896803-66-0.
What is the molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is C25H22ClFN4O3S.
What is the molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is 512.11 g/mol.
Where can I buy 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.