![Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate structure](/static/products/896/896345-45-2.png)
Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
TL;DR: Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate (CAS 896345-45-2) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
Also Known As: benzyl 2-({9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetate, benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate, benzyl 2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 2.23342 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 925.26215 |
Chemical Identifiers
| CAS Number | 896345-45-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate (CAS 896345-45-2), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate.
Chemical Property Profile of Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
Property Insights of Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
The XLogP value of 2.23342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate. Following Lipinski's Rule of Five, Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate 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 Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate?
The CAS number of Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate is 896345-45-2.
What is the molecular formula of Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate?
The molecular formula of Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate is C17H15N3O3S.
What is the molecular weight of Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate?
The molecular weight of Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate is 341.08 g/mol.
Where can I buy Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate?
You can request a quote for Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.