4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 577999-75-8) is a chemical compound with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-fluorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: SALOR-INT L407526-1EA, 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2-fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2-fluorophenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-triazo le-3-thiol, 4-[(E)-(2-fluorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C18H17FN4OS |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 4.41619 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.11072 |
| Heavy Atoms | 25 |
| Complexity | 961.45996 |
Chemical Identifiers
| CAS Number | 577999-75-8 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3F |
Product Overview
4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 577999-75-8), with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol. IUPAC: 4-[(E)-(2-fluorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.41619 indicates that 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-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-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-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-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-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-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is 577999-75-8.
What is the molecular formula of 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is C18H17FN4OS.
What is the molecular weight of 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is 356.11 g/mol.
Where can I buy 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-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-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Fluorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.