![(E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide structure](/static/products/116/1164539-03-0.png)
(E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide
TL;DR: (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide (CAS 1164539-03-0) is a chemical compound with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Also Known As: (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide, (E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide, (2E)-2-CYANO-3-[2-(3,5-DIMETHYLPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIOPHENYL)ACRYLAMIDE, (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide, (E)-2-cyano-3-(2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acrylamide
| Molecular Formula | C25H24N4O5S |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 2.62234 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.14673 |
| Heavy Atoms | 35 |
| Complexity | 1561.6157 |
Chemical Identifiers
| CAS Number | 1164539-03-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCS(=O)(=O)C3)OC4=CC(=CC(=C4)C)C |
Product Overview
(E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide (CAS 1164539-03-0), with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol. IUPAC: (E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide.
Chemical Property Profile of (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide
Property Insights of (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide
The XLogP value of 2.62234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide. The TPSA of 130.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide. Following Lipinski's Rule of Five, (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide 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)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide?
The CAS number of (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide is 1164539-03-0.
What is the molecular formula of (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide?
The molecular formula of (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide is C25H24N4O5S.
What is the molecular weight of (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide?
The molecular weight of (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide is 492.15 g/mol.
Where can I buy (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide?
You can request a quote for (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.