![2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896331-53-6.png)
2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896331-53-6) is a chemical compound with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: F2543-0115, 2-((3-nitrobenzyl)thio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-[(3-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one, 2-{[(3-nitrophenyl)methyl]sulfanyl}-4H-pyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C14H10N4O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.29 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.04736 |
| Heavy Atoms | 22 |
| Complexity | 909.7286 |
Chemical Identifiers
| CAS Number | 896331-53-6 |
|---|---|
| SMILES | C1=CC2=NC(=NC(=O)N2C=C1)SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896331-53-6), with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol. IUPAC: 2-[(3-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 2.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-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 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one. Following Lipinski's Rule of Five, 2-[(3-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 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one is 896331-53-6.
What is the molecular formula of 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one is C14H10N4O3S.
What is the molecular weight of 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one is 314.05 g/mol.
Where can I buy 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 2-[(3-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 2-[(3-Nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-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.