![(E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate structure](/static/products/799/799771-85-0.png)
(E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
TL;DR: (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate (CAS 799771-85-0) is a chemical compound with molecular formula C26H26N4O5S and molecular weight 506.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate
Also Known As: (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate, ethyl 1-[3-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate, ethyl 1-{3-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
| Molecular Formula | C26H26N4O5S |
|---|---|
| Molecular Weight | 506.16 g/mol |
| LogP | 3.1208 |
| Topological Polar Surface Area | 121.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.16238 |
| Heavy Atoms | 36 |
| Complexity | 1538.2832 |
Chemical Identifiers
| CAS Number | 799771-85-0 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 |
Product Overview
(E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate (CAS 799771-85-0), with molecular formula C26H26N4O5S and molecular weight 506.16 g/mol. IUPAC: ethyl 1-[3-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate.
Chemical Property Profile of (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
Property Insights of (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
The XLogP value of 3.1208 indicates that (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-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 121.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-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-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate has 0 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-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The CAS number of (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is 799771-85-0.
What is the molecular formula of (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The molecular formula of (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is C26H26N4O5S.
What is the molecular weight of (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
The molecular weight of (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate is 506.16 g/mol.
Where can I buy (E)-ethyl 1-(3-(2-cyano-2-(phenylsulfonyl)vinyl)-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-(2-cyano-2-(phenylsulfonyl)vinyl)-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-(2-cyano-2-(phenylsulfonyl)vinyl)-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-(2-cyano-2-(phenylsulfonyl)vinyl)-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.