![2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one structure](/static/products/6802/680217-47-4.webp)
2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one
TL;DR: 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one (CAS 680217-47-4) is a chemical compound with molecular formula C17H12ClF3N4OS and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(6-chloro-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone
Also Known As: 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one, 2-[[5-(6-chloropyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone, 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1, 2-{[5-(6-chloropyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]ethanone
| Molecular Formula | C17H12ClF3N4OS |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 4.5243 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.03723 |
| Heavy Atoms | 27 |
| Complexity | 973.055 |
Chemical Identifiers
| CAS Number | 680217-47-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CN=C(C=C3)Cl |
Product Overview
2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one (CAS 680217-47-4), with molecular formula C17H12ClF3N4OS and molecular weight 412.04 g/mol. IUPAC: 2-[[5-(6-chloro-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one
Property Insights of 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one
The XLogP value of 4.5243 indicates that 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one. Following Lipinski's Rule of Five, 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one has 0 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-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one?
The CAS number of 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one is 680217-47-4.
What is the molecular formula of 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one?
The molecular formula of 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one is C17H12ClF3N4OS.
What is the molecular weight of 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one?
The molecular weight of 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one is 412.04 g/mol.
Where can I buy 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one?
You can request a quote for 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-[3-(trifluoromethyl)phenyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.