4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol (CAS 587008-49-9) is a chemical compound with molecular formula C17H12ClFN4S and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-Chloro-3-phenylallylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol, 4-((3Z,1E)-3-chloro-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-tr iazole-3-thiol, 4-((E)-((Z)-2-chloro-3-phenylallylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H12ClFN4S |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 4.86059 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.04553 |
| Heavy Atoms | 24 |
| Complexity | 959.9768 |
Chemical Identifiers
| CAS Number | 587008-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C=N/N2C(=NNC2=S)C3=CC=CC=C3F)\Cl |
Product Overview
4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol (CAS 587008-49-9), with molecular formula C17H12ClFN4S and molecular weight 358.05 g/mol. IUPAC: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.86059 indicates that 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-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 45.97 Ų, 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-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-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol is 587008-49-9.
What is the molecular formula of 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol is C17H12ClFN4S.
What is the molecular weight of 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol is 358.05 g/mol.
Where can I buy 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-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-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-CL-3-PH-2-Propenylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.