2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide
TL;DR: 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide (CAS 799824-89-8) is a chemical compound with molecular formula C23H18F3N5OS and molecular weight 469.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
Also Known As: 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide, 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide, 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)benzyl]acetamide
| Molecular Formula | C23H18F3N5OS |
|---|---|
| Molecular Weight | 469.12 g/mol |
| LogP | 4.7566 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.1184 |
| Heavy Atoms | 33 |
| Complexity | 1229.8428 |
Chemical Identifiers
| CAS Number | 799824-89-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC(=CC=C3)C(F)(F)F)C4=CN=CC=C4 |
Product Overview
2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide (CAS 799824-89-8), with molecular formula C23H18F3N5OS and molecular weight 469.12 g/mol. IUPAC: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
Chemical Property Profile of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide
Property Insights of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide
The XLogP value of 4.7566 indicates that 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide. Following Lipinski's Rule of Five, 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide?
The CAS number of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide is 799824-89-8.
What is the molecular formula of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide?
The molecular formula of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide is C23H18F3N5OS.
What is the molecular weight of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide?
The molecular weight of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide is 469.12 g/mol.
Where can I buy 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide?
You can request a quote for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)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-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.