![3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine structure](/static/products/3390/339010-64-9.webp)
3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine
TL;DR: 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine (CAS 339010-64-9) is a chemical compound with molecular formula C12H12ClF3N4S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[1-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine
Also Known As: 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine, 3-chloro-2-[1-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine, 3-Chloro-2-(1-(4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl)ethyl)-5-(trifluoromethyl)pyridine, 3-CHLORO-2-{1-[4-METHYL-5-(METHYLSULFANYL)-1,2,4-TRIAZOL-3-YL]ETHYL}-5-(TRIFLUOROMETHYL)PYRIDINE
| Molecular Formula | C12H12ClF3N4S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 3.756 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.04233 |
| Heavy Atoms | 21 |
| Complexity | 656.4375 |
Chemical Identifiers
| CAS Number | 339010-64-9 |
|---|---|
| SMILES | CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C2=NN=C(N2C)SC |
Product Overview
3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine (CAS 339010-64-9), with molecular formula C12H12ClF3N4S and molecular weight 336.04 g/mol. IUPAC: 3-chloro-2-[1-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine
Property Insights of 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine
The XLogP value of 3.756 indicates that 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)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, 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)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 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine?
The CAS number of 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine is 339010-64-9.
What is the molecular formula of 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine?
The molecular formula of 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine is C12H12ClF3N4S.
What is the molecular weight of 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine?
The molecular weight of 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine is 336.04 g/mol.
Where can I buy 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine?
You can request a quote for 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-2-{1-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.