4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide
TL;DR: 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide (CAS 338759-01-6) is a chemical compound with molecular formula C14H8ClF3N4S and molecular weight 356.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfanyl-2-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine
Also Known As: Bionet1_002050, 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide, 3-[(4-chlorophenyl)sulfanyl]-2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine, 5G-029, 3-(4-chlorophenyl)sulfanyl-2-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine
| Molecular Formula | C14H8ClF3N4S |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | 4.6901 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.01102 |
| Heavy Atoms | 23 |
| Complexity | 803.8898 |
Chemical Identifiers
| CAS Number | 338759-01-6 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(N=CC(=C2)C(F)(F)F)C3=NC=NN3)Cl |
Product Overview
4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide (CAS 338759-01-6), with molecular formula C14H8ClF3N4S and molecular weight 356.01 g/mol. IUPAC: 3-(4-chlorophenyl)sulfanyl-2-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide
Property Insights of 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide
The XLogP value of 4.6901 indicates that 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide 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 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide?
The CAS number of 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide is 338759-01-6.
What is the molecular formula of 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide?
The molecular formula of 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide is C14H8ClF3N4S.
What is the molecular weight of 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide?
The molecular weight of 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide is 356.01 g/mol.
Where can I buy 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide?
You can request a quote for 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorophenyl 2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)-3-pyridinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.