(E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
TL;DR: (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile (CAS 1164515-22-3) is a chemical compound with molecular formula C14H11ClN2O2S and molecular weight 306.02298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
Also Known As: (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile, (2E)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile, (2E)-2-[5-(2-chlorobenzyl)-4-keto-thiazolidin-2-ylidene]-3-keto-butyronitrile, (2E)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-2-thiazolidinylidene]-3-oxobutanenitrile, (2E)-2-[5-[(2-chlorophenyl)methyl]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-butanenitrile
Technical Specifications
| Molecular Formula | C14H11ClN2O2S |
| Molecular Weight | 306.02298 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.02298 Da |
| Heavy Atoms | 20 |
| Complexity | 509.0 |
| SMILES | CC(=O)/C(=C/1\NC(=O)C(S1)CC2=CC=CC=C2Cl)/C#N |
| InChIKey | XNOIMYBKTJAXCD-GXDHUFHOSA-N |
Chemical Property Profile of (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
Property Insights of (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(5-(2-chlorobenzyl)-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-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile. Following Lipinski's Rule of Five, (E)-2-(5-(2-chlorobenzyl)-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-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The CAS number of (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is 1164515-22-3.
What is the molecular formula of (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular formula of (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is C14H11ClN2O2S.
What is the molecular weight of (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular weight of (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is 306.02298 g/mol.
Where can I buy (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
You can request a quote for (E)-2-(5-(2-chlorobenzyl)-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-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
Yes, CoreyChem provides custom synthesis services for (E)-2-(5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.