![ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate structure](/static/products/796/796877-69-5.png)
ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
TL;DR: ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate (CAS 796877-69-5) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate
Also Known As: ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate, ethyl 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate, ethyl 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate
| Molecular Formula | C21H21N5O3 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.21298 |
| Topological Polar Surface Area | 111.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.16443 |
| Heavy Atoms | 29 |
| Complexity | 1104.0536 |
Chemical Identifiers
| CAS Number | 796877-69-5 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C#N |
Product Overview
ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate (CAS 796877-69-5), with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol. IUPAC: ethyl 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate.
Chemical Property Profile of ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
Property Insights of ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
The XLogP value of 2.21298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate. The TPSA of 111.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate has 0 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 ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The CAS number of ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is 796877-69-5.
What is the molecular formula of ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The molecular formula of ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is C21H21N5O3.
What is the molecular weight of ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The molecular weight of ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is 391.16 g/mol.
Where can I buy ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
You can request a quote for ethyl 1-(3-(2,2-dicyanovinyl)-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 ethyl 1-(3-(2,2-dicyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(3-(2,2-dicyanovinyl)-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.