![2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896337-03-4.png)
2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-03-4) is a chemical compound with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, F2543-0638, 2-{[(3-chlorophenyl)methyl]sulfanyl}-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-[(3-chlorophenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C15H12ClN3OS |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 3.34362 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.03897 |
| Heavy Atoms | 21 |
| Complexity | 862.9068 |
Chemical Identifiers
| CAS Number | 896337-03-4 |
|---|---|
| SMILES | CC1=CC2=NC(=NC(=O)N2C=C1)SCC3=CC(=CC=C3)Cl |
Product Overview
2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-03-4), with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol. IUPAC: 2-[(3-chlorophenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 3.34362 indicates that 2-((3-chlorobenzyl)thio)-8-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-((3-chlorobenzyl)thio)-8-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-((3-chlorobenzyl)thio)-8-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-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896337-03-4.
What is the molecular formula of 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C15H12ClN3OS.
What is the molecular weight of 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 317.04 g/mol.
Where can I buy 2-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 2-((3-chlorobenzyl)thio)-8-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-((3-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-chlorobenzyl)thio)-8-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.