![ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate structure](/static/products/896/896338-66-2.png)
ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate (CAS 896338-66-2) is a chemical compound with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-[2-(8-methyl-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetyl]-1-piperazinecarboxylate, ethyl 4-[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
| Molecular Formula | C17H21N5O4S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 0.79072 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.13144 |
| Heavy Atoms | 27 |
| Complexity | 907.82214 |
Chemical Identifiers
| CAS Number | 896338-66-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)N3C=CC=C(C3=N2)C |
Product Overview
ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate (CAS 896338-66-2), with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol. IUPAC: ethyl 4-[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate
The XLogP value of 0.79072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 7 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 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate is 896338-66-2.
What is the molecular formula of ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate is C17H21N5O4S.
What is the molecular weight of ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate is 391.13 g/mol.
Where can I buy ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.