![(E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate structure](/static/products/799/799770-30-2.png)
(E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
TL;DR: (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate (CAS 799770-30-2) is a chemical compound with molecular formula C28H29N5O4 and molecular weight 499.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate
Also Known As: (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate, ethyl 1-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate, ethyl 1-{3-[(1E)-2-(benzylcarbamoyl)-2-cyanoeth-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate, ethyl 1-{3-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
| Molecular Formula | C28H29N5O4 |
|---|---|
| Molecular Weight | 499.22 g/mol |
| LogP | 3.0058 |
| Topological Polar Surface Area | 116.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.22195 |
| Heavy Atoms | 37 |
| Complexity | 1438.6884 |
Chemical Identifiers
| CAS Number | 799770-30-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NCC4=CC=CC=C4 |
Product Overview
(E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate (CAS 799770-30-2), with molecular formula C28H29N5O4 and molecular weight 499.22 g/mol. IUPAC: ethyl 1-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate.
Chemical Property Profile of (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
Property Insights of (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
The XLogP value of 3.0058 indicates that (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate has 1 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 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The CAS number of (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is 799770-30-2.
What is the molecular formula of (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The molecular formula of (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is C28H29N5O4.
What is the molecular weight of (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The molecular weight of (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is 499.22 g/mol.
Where can I buy (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
You can request a quote for (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-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-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.