![(E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide structure](/static/products/796/796880-98-3.png)
(E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
TL;DR: (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 796880-98-3) is a chemical compound with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Also Known As: (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-[3-[(E)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
| Molecular Formula | C22H24N6O5S |
|---|---|
| Molecular Weight | 484.15 g/mol |
| LogP | -0.39352 |
| Topological Polar Surface Area | 167.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.1529 |
| Heavy Atoms | 34 |
| Complexity | 1382.7396 |
Chemical Identifiers
| CAS Number | 796880-98-3 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
(E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 796880-98-3), with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol. IUPAC: 1-[3-[(E)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Property Insights of (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
The XLogP value of -0.39352 indicates that (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.73 Ų indicates high polarity, suggesting (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-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-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has 2 hydrogen bond donor(s) and 8 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)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The CAS number of (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 796880-98-3.
What is the molecular formula of (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular formula of (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is C22H24N6O5S.
What is the molecular weight of (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular weight of (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 484.15 g/mol.
Where can I buy (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-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-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-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-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-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-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-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.