![7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896317-75-2.png)
7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896317-75-2) is a chemical compound with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 7-methyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 7-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one, 6-methyl-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethylthio]-1,3,4a-triaza-4H-naphthalen-4-one
| Molecular Formula | C20H21N5O2S |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 1.83882 |
| Topological Polar Surface Area | 70.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.1416 |
| Heavy Atoms | 28 |
| Complexity | 1045.3954 |
Chemical Identifiers
| CAS Number | 896317-75-2 |
|---|---|
| SMILES | CC1=CN2C(=NC(=NC2=O)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C=C1 |
Product Overview
7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896317-75-2), with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol. IUPAC: 7-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 1.83882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one. The TPSA of 70.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one. Following Lipinski's Rule of Five, 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-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 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896317-75-2.
What is the molecular formula of 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C20H21N5O2S.
What is the molecular weight of 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 395.14 g/mol.
Where can I buy 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-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 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-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.