![2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896337-17-0.png)
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-17-0) is a chemical compound with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C16H12ClN3O2S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 3.02632 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.03387 |
| Heavy Atoms | 23 |
| Complexity | 938.20337 |
Chemical Identifiers
| CAS Number | 896337-17-0 |
|---|---|
| SMILES | CC1=CC2=NC(=NC(=O)N2C=C1)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-17-0), with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 3.02632 indicates that 2-((2-(4-chlorophenyl)-2-oxoethyl)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. The TPSA of 64.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one. Following Lipinski's Rule of Five, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-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 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896337-17-0.
What is the molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C16H12ClN3O2S.
What is the molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 345.03 g/mol.
Where can I buy 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 2-((2-(4-chlorophenyl)-2-oxoethyl)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-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-chlorophenyl)-2-oxoethyl)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.