![4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one structure](/static/products/570/57057-63-3.png)
4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
TL;DR: 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one (CAS 57057-63-3) is a chemical compound with molecular formula C15H18N4OS and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one, (E)-4-(benzylideneamino)-6-(tert-butyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one, 4-((1E)-2-phenyl-1-azavinyl)-6-(tert-butyl)-3-methylthio-1,2,4-triazin-5-one, 4-[(E)-Benzylideneamino]-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one, 6-tert-butyl-3-(methylsulfanyl)-4-{[(E)-phenylmethylidene]amino}-1,2,4-triazin-5(4H)-one
| Molecular Formula | C15H18N4OS |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.5399 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.12012 |
| Heavy Atoms | 21 |
| Complexity | 701.84894 |
Chemical Identifiers
| CAS Number | 57057-63-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)/N=C/C2=CC=CC=C2)SC |
Product Overview
4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one (CAS 57057-63-3), with molecular formula C15H18N4OS and molecular weight 302.12 g/mol. IUPAC: 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
Property Insights of 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
The XLogP value of 2.5399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one. The TPSA of 60.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-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 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The CAS number of 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is 57057-63-3.
What is the molecular formula of 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The molecular formula of 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is C15H18N4OS.
What is the molecular weight of 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The molecular weight of 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is 302.12 g/mol.
Where can I buy 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?
You can request a quote for 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-benzylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.