![2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896337-59-0.png)
2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-59-0) is a chemical compound with molecular formula C17H15N3OS and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: F2543-0648, 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 9-methyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 9-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one, 9-Methyl-2-((3-phenylallyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C17H15N3OS |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 3.20342 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.0936 |
| Heavy Atoms | 22 |
| Complexity | 871.9565 |
Chemical Identifiers
| CAS Number | 896337-59-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SC/C=C/C3=CC=CC=C3 |
Product Overview
2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-59-0), with molecular formula C17H15N3OS and molecular weight 309.09 g/mol. IUPAC: 9-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 3.20342 indicates that 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one has 0 hydrogen bond donor(s) and 4 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-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896337-59-0.
What is the molecular formula of 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C17H15N3OS.
What is the molecular weight of 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 309.09 g/mol.
Where can I buy 2-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 2-(cinnamylthio)-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-(cinnamylthio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(cinnamylthio)-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.