4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 728016-60-2) is a chemical compound with molecular formula C13H8ClFN4S and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-fluorophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 11409517, A3847/0163389, 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(3-Chloro-4-fluoro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol, 4-(3-chloro-4-fluorophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H8ClFN4S |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 3.78439 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.01422 |
| Heavy Atoms | 20 |
| Complexity | 812.7385 |
Chemical Identifiers
| CAS Number | 728016-60-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=NNC2=S)C3=CC=NC=C3)Cl)F |
Product Overview
4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 728016-60-2), with molecular formula C13H8ClFN4S and molecular weight 306.01 g/mol. IUPAC: 4-(3-chloro-4-fluorophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.78439 indicates that 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 728016-60-2.
What is the molecular formula of 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is C13H8ClFN4S.
What is the molecular weight of 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 306.01 g/mol.
Where can I buy 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.