![(E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate structure](/static/products/796/796877-08-2.png)
(E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate
TL;DR: (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate (CAS 796877-08-2) is a chemical compound with molecular formula C26H27N5O3 and molecular weight 457.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Also Known As: (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate, ethyl (2E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate, ethyl (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
| Molecular Formula | C26H27N5O3 |
|---|---|
| Molecular Weight | 457.21 g/mol |
| LogP | 2.7952 |
| Topological Polar Surface Area | 90.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.2114 |
| Heavy Atoms | 34 |
| Complexity | 1316.0009 |
Chemical Identifiers
| CAS Number | 796877-08-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)CC4=CC=CC=C4)/C#N |
Product Overview
(E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate (CAS 796877-08-2), with molecular formula C26H27N5O3 and molecular weight 457.21 g/mol. IUPAC: ethyl (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate
Property Insights of (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate
The XLogP value of 2.7952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate. The TPSA of 90.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate. Following Lipinski's Rule of Five, (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate 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 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate?
The CAS number of (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate is 796877-08-2.
What is the molecular formula of (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate?
The molecular formula of (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate is C26H27N5O3.
What is the molecular weight of (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate?
The molecular weight of (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate is 457.21 g/mol.
Where can I buy (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate?
You can request a quote for (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.