4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide
TL;DR: 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide (CAS 613226-05-4) is a chemical compound with molecular formula C21H14ClF3N4S and molecular weight 446.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide, 4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 4-(4-(4-chlorophenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 4-(4-chlorophenyl)-5-(4-pyridyl)-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2 ,4-triazole, 4-[4-(4-chlorophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C21H14ClF3N4S |
|---|---|
| Molecular Weight | 446.06 g/mol |
| LogP | 6.2938 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.05798 |
| Heavy Atoms | 30 |
| Complexity | 1145.1377 |
Chemical Identifiers
| CAS Number | 613226-05-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide (CAS 613226-05-4), with molecular formula C21H14ClF3N4S and molecular weight 446.06 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide
Property Insights of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide
The XLogP value of 6.2938 indicates that 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide?
The CAS number of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide is 613226-05-4.
What is the molecular formula of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide?
The molecular formula of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide is C21H14ClF3N4S.
What is the molecular weight of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide?
The molecular weight of 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide is 446.06 g/mol.
Where can I buy 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide?
You can request a quote for 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.