4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 677780-98-2) 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.
4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((4-ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triazole-3-thi ol, 4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(4-fluorophenyl)-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 | 897.59 |
Chemical Identifiers
| CAS Number | 677780-98-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F |
Product Overview
4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 677780-98-2), with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol. IUPAC: 4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.02769 indicates that 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-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, 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-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 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 677780-98-2.
What is the molecular formula of 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C17H15FN4OS.
What is the molecular weight of 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 342.10 g/mol.
Where can I buy 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-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-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.