![(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide structure](/static/products/116/1164513-12-5.png)
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
TL;DR: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide (CAS 1164513-12-5) is a chemical compound with molecular formula C23H27N5O4S and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Also Known As: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide, (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylamide, (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-[9-methyl-2-(4-methyl-piperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-acrylamide, (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
| Molecular Formula | C23H27N5O4S |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 1.4495 |
| Topological Polar Surface Area | 124.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.17838 |
| Heavy Atoms | 33 |
| Complexity | 1331.0997 |
Chemical Identifiers
| CAS Number | 1164513-12-5 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide (CAS 1164513-12-5), with molecular formula C23H27N5O4S and molecular weight 469.18 g/mol. IUPAC: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Property Insights of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
The XLogP value of 1.4495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide. The TPSA of 124.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide 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 (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
The CAS number of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is 1164513-12-5.
What is the molecular formula of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
The molecular formula of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is C23H27N5O4S.
What is the molecular weight of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
The molecular weight of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is 469.18 g/mol.
Where can I buy (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
You can request a quote for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.