![benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate structure](/static/products/896/896331-75-2.png)
benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate
TL;DR: benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate (CAS 896331-75-2) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
Also Known As: benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate, benzyl 2-({4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetate, benzyl (4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetate, benzyl 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 1.925 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 880.3778 |
Chemical Identifiers
| CAS Number | 896331-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)N3C=CC=CC3=N2 |
Product Overview
benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate (CAS 896331-75-2), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: benzyl 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate.
Chemical Property Profile of benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate
Property Insights of benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate
The XLogP value of 1.925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate. Following Lipinski's Rule of Five, benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate 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-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate?
The CAS number of benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate is 896331-75-2.
What is the molecular formula of benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate?
The molecular formula of benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate is C16H13N3O3S.
What is the molecular weight of benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate?
The molecular weight of benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate is 327.07 g/mol.
Where can I buy benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate?
You can request a quote for benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.