3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine
TL;DR: 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine (CAS 123822-41-3) is a chemical compound with molecular formula C8H4ClF3N4S and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-5-(trifluoromethyl)pyridine
Also Known As: Bionet2_000131, 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine, 3-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-5-(trifluoromethyl)pyridine
| Molecular Formula | C8H4ClF3N4S |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 3.0231 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.97974 |
| Heavy Atoms | 17 |
| Complexity | 513.984 |
Chemical Identifiers
| CAS Number | 123822-41-3 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)SC2=NC=NN2)C(F)(F)F |
Product Overview
3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine (CAS 123822-41-3), with molecular formula C8H4ClF3N4S and molecular weight 279.98 g/mol. IUPAC: 3-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine
Property Insights of 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine
The XLogP value of 3.0231 indicates that 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine has 1 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-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine?
The CAS number of 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine is 123822-41-3.
What is the molecular formula of 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine?
The molecular formula of 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine is C8H4ClF3N4S.
What is the molecular weight of 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine?
The molecular weight of 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine is 279.98 g/mol.
Where can I buy 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine?
You can request a quote for 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-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-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-2-(1H-1,2,4-triazol-3-ylsulfanyl)-5-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.