(E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
TL;DR: (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile (CAS 1164561-66-3) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
Also Known As: (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile, 2-[5-(4-Ethyl-benzyl)-4-oxo-thiazolidin-(2E)-ylidene]-3-oxo-butyronitrile, (2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile, (2E)-2-[5-(4-ethylbenzyl)-4-keto-thiazolidin-2-ylidene]-3-keto-butyronitrile, (2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxo-2-thiazolidinylidene]-3-oxobutanenitrile
Technical Specifications
| Molecular Formula | C16H16N2O2S |
| Molecular Weight | 300.09326 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09326 Da |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
| SMILES | CCC1=CC=C(C=C1)CC2C(=O)N/C(=C(/C#N)\C(=O)C)/S2 |
| InChIKey | IEPIEQKNJGOACF-DTQAZKPQSA-N |
Chemical Property Profile of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
Property Insights of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile. Following Lipinski's Rule of Five, (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The CAS number of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is 1164561-66-3.
What is the molecular formula of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular formula of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is C16H16N2O2S.
What is the molecular weight of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular weight of (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is 300.09326 g/mol.
Where can I buy (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
You can request a quote for (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
Yes, CoreyChem provides custom synthesis services for (E)-2-(5-(4-ethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.