4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 879456-96-9) is a chemical compound with molecular formula C14H11ClFN5S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-(3-chloro-4-fluorophenyl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-(3-Chloro-4-fluoro-phenyl)-5-(5-cyclopropyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol, 4-(3-chloro-4-fluorophenyl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H11ClFN5S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 3.98989 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.04077 |
| Heavy Atoms | 22 |
| Complexity | 908.0966 |
Chemical Identifiers
| CAS Number | 879456-96-9 |
|---|---|
| SMILES | C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl |
Product Overview
4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 879456-96-9), with molecular formula C14H11ClFN5S and molecular weight 335.04 g/mol. IUPAC: 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.98989 indicates that 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione has 2 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)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 879456-96-9.
What is the molecular formula of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is C14H11ClFN5S.
What is the molecular weight of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 335.04 g/mol.
Where can I buy 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione 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)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.