![(E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate structure](/static/products/799/799776-74-2.png)
(E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate
TL;DR: (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate (CAS 799776-74-2) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
Also Known As: (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate, ethyl (2E)-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate, ethyl (E)-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
| Molecular Formula | C21H25N5O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 1.6149 |
| Topological Polar Surface Area | 90.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.19574 |
| Heavy Atoms | 29 |
| Complexity | 1042.6882 |
Chemical Identifiers
| CAS Number | 799776-74-2 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)OCC |
Product Overview
(E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate (CAS 799776-74-2), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: ethyl (E)-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate.
Chemical Property Profile of (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate
Property Insights of (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate
The XLogP value of 1.6149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate. The TPSA of 90.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate. Following Lipinski's Rule of Five, (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate 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 (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate?
The CAS number of (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate is 799776-74-2.
What is the molecular formula of (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate?
The molecular formula of (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate is C21H25N5O3.
What is the molecular weight of (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate?
The molecular weight of (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate is 395.20 g/mol.
Where can I buy (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate?
You can request a quote for (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-cyano-3-(2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.