2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-
TL;DR: 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- (CAS 90168-77-7) is a chemical compound with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)-N-prop-2-enoylprop-2-enamide
Also Known As: 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-, N-(3-methylsulfanyl-5-oxo-6-tert-butyl-1,2,4-triazin-4-yl)-N-prop-2-enoyl-prop-2-enamide, N-(6-tert-butyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)-N-prop-2-enoylprop-2-enamide, N-[6-tert-Butyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-N-(prop-2-enoyl)prop-2-enamide
| Molecular Formula | C14H18N4O3S |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.10995 |
| Heavy Atoms | 22 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 90168-77-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)N(C(=O)C=C)C(=O)C=C)SC |
| InChIKey | LVIVYSXSKDAOMT-UHFFFAOYSA-N |
Product Overview
2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- (CAS 90168-77-7), with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol. IUPAC: N-(6-tert-butyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)-N-prop-2-enoylprop-2-enamide.
Chemical Property Profile of 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-
Property Insights of 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-
The XLogP value of 3.1 indicates that 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-. Following Lipinski's Rule of Five, 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- 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 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-?
The CAS number of 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- is 90168-77-7.
What is the molecular formula of 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-?
The molecular formula of 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- is C14H18N4O3S.
What is the molecular weight of 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-?
The molecular weight of 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- is 322.11 g/mol.
Where can I buy 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-?
You can request a quote for 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenamide, N-(6-(1,1-dimethylethyl)-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-(1-oxo-2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.