![(E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester structure](/static/products/877/877782-49-5.png)
(E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester
TL;DR: (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester (CAS 877782-49-5) is a chemical compound with molecular formula C27H27N5O5 and molecular weight 501.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Also Known As: (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester, (E)-ethyl 3-(2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate, ethyl (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyanoprop-2-enoate, ethyl (E)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
| Molecular Formula | C27H27N5O5 |
|---|---|
| Molecular Weight | 501.20 g/mol |
| LogP | 2.5239 |
| Topological Polar Surface Area | 109.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.20123 |
| Heavy Atoms | 37 |
| Complexity | 1481.0107 |
Chemical Identifiers
| CAS Number | 877782-49-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)/C#N |
Product Overview
(E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester (CAS 877782-49-5), with molecular formula C27H27N5O5 and molecular weight 501.20 g/mol. IUPAC: ethyl (E)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester
Property Insights of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester
The XLogP value of 2.5239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester. The TPSA of 109.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester. Following Lipinski's Rule of Five, (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester?
The CAS number of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester is 877782-49-5.
What is the molecular formula of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester?
The molecular formula of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester is C27H27N5O5.
What is the molecular weight of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester?
The molecular weight of (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester is 501.20 g/mol.
Where can I buy (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester?
You can request a quote for (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2 -cyano-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.