![ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate structure](/static/products/3069/306978-89-2.webp)
ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate (CAS 306978-89-2) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
Also Known As: ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate, ethyl 2-({9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetate, ethyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate, Ethyl 2-((9-methyl-4-oxo-4H-pyrido[1,2-a](1,3,5)triazin-2-yl)sulfanyl)acetate, ethyl 2-(9-methyl-4-oxo-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.05312 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 668.80743 |
Chemical Identifiers
| CAS Number | 306978-89-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=O)N2C=CC=C(C2=N1)C |
Product Overview
ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate (CAS 306978-89-2), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: ethyl 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetate.
Chemical Property Profile of ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate
The XLogP value of 1.05312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]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 ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate is 306978-89-2.
What is the molecular formula of ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate is C12H13N3O3S.
What is the molecular weight of ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate is 279.07 g/mol.
Where can I buy ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.