![4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole structure](/static/products/6132/613225-70-0.webp)
4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole
TL;DR: 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole (CAS 613225-70-0) is a chemical compound with molecular formula C20H14ClFN4S and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-(4-chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole, 4-(4-(4-chlorophenyl)-5-((2-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 4-(4-(4-CL-PHENYL)-5-((2-FLUOROBENZYL)SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE, 4-[4-(4-chlorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 4-{4-(4-chlorophenyl)-5-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C20H14ClFN4S |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 5.4141 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.0612 |
| Heavy Atoms | 27 |
| Complexity | 1051.287 |
Chemical Identifiers
| CAS Number | 613225-70-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F |
Product Overview
4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole (CAS 613225-70-0), with molecular formula C20H14ClFN4S and molecular weight 396.06 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole
Property Insights of 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole
The XLogP value of 5.4141 indicates that 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole 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)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole 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)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole?
The CAS number of 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole is 613225-70-0.
What is the molecular formula of 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole?
The molecular formula of 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole is C20H14ClFN4S.
What is the molecular weight of 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole?
The molecular weight of 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole is 396.06 g/mol.
Where can I buy 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole?
You can request a quote for 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole 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)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-3-[(2-fluorophenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.