![(E)-ethyl 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-carboxylate structure](/static/products/799/799772-05-7.png)
(E)-ethyl 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-carboxylate
TL;DR: (E)-ethyl 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-carboxylate (CAS 799772-05-7) is a chemical compound with molecular formula C29H31N5O5 and molecular weight 529.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate
Also Known As: (E)-ethyl 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-carboxylate, ethyl 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-carboxylate, ethyl 1-[3-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate, ethyl 1-{3-[(1E)-2-cyano-2-[(4-ethoxyphenyl)carbamoyl]eth-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate
| Molecular Formula | C29H31N5O5 |
|---|---|
| Molecular Weight | 529.23 g/mol |
| LogP | 3.7268 |
| Topological Polar Surface Area | 126.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.23254 |
| Heavy Atoms | 39 |
| Complexity | 1495.4677 |
Chemical Identifiers
| CAS Number | 799772-05-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)OCC)/C#N |
Product Overview
(E)-ethyl 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-carboxylate (CAS 799772-05-7), with molecular formula C29H31N5O5 and molecular weight 529.23 g/mol. IUPAC: ethyl 1-[3-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate.
Chemical Property Profile of (E)-ethyl 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-carboxylate
Property Insights of (E)-ethyl 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-carboxylate
The XLogP value of 3.7268 indicates that (E)-ethyl 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-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 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-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 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-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 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-carboxylate?
The CAS number of (E)-ethyl 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-carboxylate is 799772-05-7.
What is the molecular formula of (E)-ethyl 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-carboxylate?
The molecular formula of (E)-ethyl 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-carboxylate is C29H31N5O5.
What is the molecular weight of (E)-ethyl 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-carboxylate?
The molecular weight of (E)-ethyl 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-carboxylate is 529.23 g/mol.
Where can I buy (E)-ethyl 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-carboxylate?
You can request a quote for (E)-ethyl 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-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 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-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 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-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.