![(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-acrylamide structure](/static/products/116/1164562-46-2.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-acrylamide
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-acrylamide (CAS 1164562-46-2) is a chemical compound with molecular formula C25H24N6O4 and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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-enamide
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-acrylamide, (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-enamide, (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-enamide, (E)-2-cyano-3-[4-keto-9-methyl-2-(4-piperonylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]acrylamide, (E)-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-cyanoacrylamide
| Molecular Formula | C25H24N6O4 |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 1.4461 |
| Topological Polar Surface Area | 126.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.1859 |
| Heavy Atoms | 35 |
| Complexity | 1446.8131 |
Chemical Identifiers
| CAS Number | 1164562-46-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
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-acrylamide (CAS 1164562-46-2), with molecular formula C25H24N6O4 and molecular weight 472.19 g/mol. IUPAC: (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-enamide.
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-acrylamide
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-acrylamide
The XLogP value of 1.4461 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-acrylamide. The TPSA of 126.19 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-acrylamide. 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-acrylamide has 1 hydrogen bond donor(s) and 8 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)-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-acrylamide?
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-acrylamide is 1164562-46-2.
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-acrylamide?
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-acrylamide is C25H24N6O4.
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-acrylamide?
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-acrylamide is 472.19 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-acrylamide?
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-acrylamide 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-acrylamide?
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-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.