![2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896327-98-3.png)
2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one (CAS 896327-98-3) is a chemical compound with molecular formula C16H20N4O2S and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C16H20N4O2S |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 1.89262 |
| Topological Polar Surface Area | 67.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.1307 |
| Heavy Atoms | 23 |
| Complexity | 766.2546 |
Chemical Identifiers
| CAS Number | 896327-98-3 |
|---|---|
| SMILES | CC1=CC2=NC(=NC(=O)N2C=C1)SCC(=O)N3CCCCCC3 |
Product Overview
2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one (CAS 896327-98-3), with molecular formula C16H20N4O2S and molecular weight 332.13 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 1.89262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one. The TPSA of 67.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one. Following Lipinski's Rule of Five, 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-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 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one is 896327-98-3.
What is the molecular formula of 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one is C16H20N4O2S.
What is the molecular weight of 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one is 332.13 g/mol.
Where can I buy 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.