![2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine structure](/static/products/6802/680217-00-9.webp)
2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine
TL;DR: 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 680217-00-9) is a chemical compound with molecular formula C17H10ClF3N4S and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine, 2-chloro-5-[5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine, 2-CHLORO-5-(5-(PROP-2-YNYLTHIO)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE, 2-chloro-5-[5-(prop-2-yn-1-ylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine, 2-Chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine , 98%
| Molecular Formula | C17H10ClF3N4S |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 4.7268 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.02667 |
| Heavy Atoms | 26 |
| Complexity | 961.3747 |
Chemical Identifiers
| CAS Number | 680217-00-9 |
|---|---|
| SMILES | C#CCSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CN=C(C=C3)Cl |
Product Overview
2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 680217-00-9), with molecular formula C17H10ClF3N4S and molecular weight 394.03 g/mol. IUPAC: 2-chloro-5-[5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine
Property Insights of 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine
The XLogP value of 4.7268 indicates that 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine has 0 hydrogen bond donor(s) and 4 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-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine?
The CAS number of 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine is 680217-00-9.
What is the molecular formula of 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular formula of 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine is C17H10ClF3N4S.
What is the molecular weight of 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular weight of 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine is 394.03 g/mol.
Where can I buy 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine?
You can request a quote for 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-{5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.