![2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896345-93-0.png)
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896345-93-0) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one, 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 2.38152 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 951.44714 |
Chemical Identifiers
| CAS Number | 896345-93-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)OC |
Product Overview
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896345-93-0), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 2.38152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one. Following Lipinski's Rule of Five, 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-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 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896345-93-0.
What is the molecular formula of 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C17H15N3O3S.
What is the molecular weight of 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 341.08 g/mol.
Where can I buy 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-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 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-methyl-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.