![(E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide structure](/static/products/116/1164543-59-2.png)
(E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide
TL;DR: (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide (CAS 1164543-59-2) is a chemical compound with molecular formula C23H20N4O5S and molecular weight 464.12 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-[2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Also Known As: (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide, (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide, (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide, (2E)-2-CYANO-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3-[2-(3-METHYLPHENOXY)-4-OXO-4H-PYRIDO[12-A]PYRIMIDIN-3-YL]PROP-2-ENAMIDE, (E)-2-cyano-N-(1,1-diketothiolan-3-yl)-3-[4-keto-2-(3-methylphenoxy)pyrido[1,2-a]pyrimidin-3-yl]acrylamide
| Molecular Formula | C23H20N4O5S |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 2.0055 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.11545 |
| Heavy Atoms | 33 |
| Complexity | 1484.708 |
Chemical Identifiers
| CAS Number | 1164543-59-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
(E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide (CAS 1164543-59-2), with molecular formula C23H20N4O5S and molecular weight 464.12 g/mol. IUPAC: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide.
Chemical Property Profile of (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide
Property Insights of (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide
The XLogP value of 2.0055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide. The TPSA of 130.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide. Following Lipinski's Rule of Five, (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-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-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide?
The CAS number of (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide is 1164543-59-2.
What is the molecular formula of (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide?
The molecular formula of (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide is C23H20N4O5S.
What is the molecular weight of (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide?
The molecular weight of (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide is 464.12 g/mol.
Where can I buy (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide?
You can request a quote for (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-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-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(4-oxo-2-m-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.