(E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one
TL;DR: (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one (CAS 325767-20-2) is a chemical compound with molecular formula C15H17FN4OS and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-[(E)-(4-fluorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one, 4-[(1E)-2-(4-fluorophenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one, 6-tert-butyl-4-[(4-fluorobenzylidene)amino]-3-(methylthio)-1,2,4-triazin-5(4H)-one, 6-tert-butyl-4-[(E)-(4-fluorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one, 6-tert-butyl-4-{[(E)-(4-fluorophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
| Molecular Formula | C15H17FN4OS |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 2.679 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.11072 |
| Heavy Atoms | 22 |
| Complexity | 747.6183 |
Chemical Identifiers
| CAS Number | 325767-20-2 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)/N=C/C2=CC=C(C=C2)F)SC |
Product Overview
(E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one (CAS 325767-20-2), with molecular formula C15H17FN4OS and molecular weight 320.11 g/mol. IUPAC: 6-tert-butyl-4-[(E)-(4-fluorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one
Property Insights of (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one
The XLogP value of 2.679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one. The TPSA of 60.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one. Following Lipinski's Rule of Five, (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one has 0 hydrogen bond donor(s) and 5 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 (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
The CAS number of (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one is 325767-20-2.
What is the molecular formula of (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
The molecular formula of (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one is C15H17FN4OS.
What is the molecular weight of (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
The molecular weight of (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one is 320.11 g/mol.
Where can I buy (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
You can request a quote for (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(tert-butyl)-4-((4-fluorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.