![9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896344-46-0.png)
9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896344-46-0) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 9-methyl-2-((4-nitrobenzyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 9-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one, F2543-0744, 9-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 2.59842 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 937.60004 |
Chemical Identifiers
| CAS Number | 896344-46-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896344-46-0), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 9-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 2.59842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one. Following Lipinski's Rule of Five, 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]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 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one is 896344-46-0.
What is the molecular formula of 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one is C15H12N4O3S.
What is the molecular weight of 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one is 328.06 g/mol.
Where can I buy 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]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 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-Methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.