![2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896326-46-8.png)
2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896326-46-8) is a chemical compound with molecular formula C15H11ClFN3OS and molecular weight 335.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: F2543-0475, 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C15H11ClFN3OS |
|---|---|
| Molecular Weight | 335.03 g/mol |
| LogP | 3.48272 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.02954 |
| Heavy Atoms | 22 |
| Complexity | 892.6684 |
Chemical Identifiers
| CAS Number | 896326-46-8 |
|---|---|
| SMILES | CC1=CN2C(=NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)C=C1 |
Product Overview
2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896326-46-8), with molecular formula C15H11ClFN3OS and molecular weight 335.03 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-methylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 3.48272 indicates that 2-((2-chloro-6-fluorobenzyl)thio)-7-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-((2-chloro-6-fluorobenzyl)thio)-7-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-((2-chloro-6-fluorobenzyl)thio)-7-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-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896326-46-8.
What is the molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C15H11ClFN3OS.
What is the molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 335.03 g/mol.
Where can I buy 2-((2-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 2-((2-chloro-6-fluorobenzyl)thio)-7-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-chloro-6-fluorobenzyl)thio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chloro-6-fluorobenzyl)thio)-7-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.