![(E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate structure](/static/products/596/5961-42-2.png)
(E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate
TL;DR: (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate (CAS 5961-42-2) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate
Also Known As: (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate, (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione, [1-(2-dimethylammonioethyl)-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate, (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(phenyl)methanolate
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 0.0551 |
| Topological Polar Surface Area | 64.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 828.8494 |
Chemical Identifiers
| CAS Number | 5961-42-2 |
|---|---|
| SMILES | C[NH+](C)CCN1C(/C(=C(/C2=CC=CC=C2)\[O-])/C(=O)C1=O)C3=CC=CC=C3 |
Product Overview
(E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate (CAS 5961-42-2), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate.
Chemical Property Profile of (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate
Property Insights of (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate
The XLogP value of 0.0551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate. The TPSA of 64.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate. Following Lipinski's Rule of Five, (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate has 1 hydrogen bond donor(s) and 3 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-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate?
The CAS number of (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate is 5961-42-2.
What is the molecular formula of (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate?
The molecular formula of (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate is C21H22N2O3.
What is the molecular weight of (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate?
The molecular weight of (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate is 350.16 g/mol.
Where can I buy (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate?
You can request a quote for (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate?
Yes, KEHONG BIO provides custom synthesis services for (E)-[1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.