![1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one structure](/static/products/6802/680217-02-1.webp)
1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one
TL;DR: 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one (CAS 680217-02-1) is a chemical compound with molecular formula C22H13Cl2F3N4OS and molecular weight 508.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one, 1-(4-Chlorophenyl)-2-((5-(6-chloropyridin-3-yl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}th, 1-(4-chlorophenyl)-2-[[5-(6-chloropyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-{[5-(6-chloropyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C22H13Cl2F3N4OS |
|---|---|
| Molecular Weight | 508.01 g/mol |
| LogP | 6.6299 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.01392 |
| Heavy Atoms | 33 |
| Complexity | 1292.4963 |
Chemical Identifiers
| CAS Number | 680217-02-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CN=C(C=C4)Cl)C(F)(F)F |
Product Overview
1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one (CAS 680217-02-1), with molecular formula C22H13Cl2F3N4OS and molecular weight 508.01 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one
Property Insights of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one
The XLogP value of 6.6299 indicates that 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)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 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one?
The CAS number of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one is 680217-02-1.
What is the molecular formula of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one?
The molecular formula of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one is C22H13Cl2F3N4OS.
What is the molecular weight of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one?
The molecular weight of 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one is 508.01 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one?
You can request a quote for 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)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 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.