![4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one structure](/static/products/325/325767-19-9.png)
4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one
TL;DR: 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one (CAS 325767-19-9) is a chemical compound with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one, (E)-6-(tert-butyl)-4-((4-ethoxybenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one, 6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one, 6-TERT-BUTYL-4-[(E)-[(4-ETHOXYPHENYL)METHYLIDENE]AMINO]-3-(METHYLSULFANYL)-4,5-DIHYDRO-1,2,4-TRIAZIN-5-ONE, 6-tert-butyl-4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
| Molecular Formula | C17H22N4O2S |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.9386 |
| Topological Polar Surface Area | 69.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.14636 |
| Heavy Atoms | 24 |
| Complexity | 776.658 |
Chemical Identifiers
| CAS Number | 325767-19-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=N/N2C(=O)C(=NN=C2SC)C(C)(C)C |
Product Overview
4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one (CAS 325767-19-9), with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol. IUPAC: 6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one
Property Insights of 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one
The XLogP value of 2.9386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one. The TPSA of 69.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one. Following Lipinski's Rule of Five, 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one has 0 hydrogen bond donor(s) and 6 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-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one?
The CAS number of 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one is 325767-19-9.
What is the molecular formula of 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one?
The molecular formula of 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one is C17H22N4O2S.
What is the molecular weight of 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one?
The molecular weight of 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one is 346.15 g/mol.
Where can I buy 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one?
You can request a quote for 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-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-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.