5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 497922-06-2) is a chemical compound with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxyphenyl)-4-[(E)-(3-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, (E)-5-(3-ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3-ethoxyphenyl)-4-[(E)-(3-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(3-fluorophenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazole-3-thi ol, 5-(3-ethoxyphenyl)-4-{[(E)-(3-fluorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H15FN4OS |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 4.02769 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.09506 |
| Heavy Atoms | 24 |
| Complexity | 932.09 |
Chemical Identifiers
| CAS Number | 497922-06-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)F |
Product Overview
5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 497922-06-2), with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol. IUPAC: 3-(3-ethoxyphenyl)-4-[(E)-(3-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.02769 indicates that 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-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 55.2 Ų, 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 497922-06-2.
What is the molecular formula of 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H15FN4OS.
What is the molecular weight of 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 342.10 g/mol.
Where can I buy 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-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 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Ethoxyphenyl)-4-((3-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.