2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide (CAS 896825-92-6) is a chemical compound with molecular formula C27H25F3N4O3S and molecular weight 542.16 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[4-(4-ethoxyphenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 2-(trifluoromethyl)phenyl]acetamide
Technical Specifications
| Molecular Formula | C27H25F3N4O3S |
| Molecular Weight | 542.16 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.16 Da |
| Heavy Atoms | 38 |
| Complexity | 733.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)COC4=CC=C(C=C4)C |
| InChIKey | ROKDQMRGHVYIQM-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
The XLogP value of 5.9 indicates that 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is 896825-92-6.
What is the molecular formula of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is C27H25F3N4O3S.
What is the molecular weight of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is 542.16 g/mol.
Where can I buy 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.