![(E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide structure](/static/products/877/877800-48-1.png)
(E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
TL;DR: (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 877800-48-1) is a chemical compound with molecular formula C27H28N6O4 and molecular weight 500.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Also Known As: (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-(3-{(1E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-[3-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
| Molecular Formula | C27H28N6O4 |
|---|---|
| Molecular Weight | 500.22 g/mol |
| LogP | 2.649 |
| Topological Polar Surface Area | 142.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.2172 |
| Heavy Atoms | 37 |
| Complexity | 1461.2251 |
Chemical Identifiers
| CAS Number | 877800-48-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)N)/C#N |
Product Overview
(E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 877800-48-1), with molecular formula C27H28N6O4 and molecular weight 500.22 g/mol. IUPAC: 1-[3-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Property Insights of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
The XLogP value of 2.649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide. The TPSA of 142.82 Ų indicates high polarity, suggesting (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The CAS number of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 877800-48-1.
What is the molecular formula of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular formula of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is C27H28N6O4.
What is the molecular weight of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular weight of (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 500.22 g/mol.
Where can I buy (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
You can request a quote for (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-(2-cyano-3-((4-ethoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.