![9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896345-66-7.png)
9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896345-66-7) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-phenacylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 9-methyl-2-phenacylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one, 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 9-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H-pyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 2.37292 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 890.78156 |
Chemical Identifiers
| CAS Number | 896345-66-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)C3=CC=CC=C3 |
Product Overview
9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896345-66-7), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 9-methyl-2-phenacylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 2.37292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one. The TPSA of 64.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one. Following Lipinski's Rule of Five, 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[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 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896345-66-7.
What is the molecular formula of 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C16H13N3O2S.
What is the molecular weight of 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 311.07 g/mol.
Where can I buy 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[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 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-2-((2-oxo-2-phenylethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.