(E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate
TL;DR: (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate (CAS 1164528-52-2) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-cyano-2-[5-ethyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Also Known As: (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate, ethyl (2E)-2-cyano-2-[5-ethyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate, ethyl (2E)-cyano[5-ethyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanoate
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 1164528-52-2 |
|---|---|
| SMILES | CCC1C(=O)N(/C(=C(/C#N)\C(=O)OCC)/S1)C2=CC=C(C=C2)C |
| InChIKey | DTQPZMQMENZSNJ-DTQAZKPQSA-N |
Product Overview
(E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate (CAS 1164528-52-2), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: ethyl (2E)-2-cyano-2-[5-ethyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
Chemical Property Profile of (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate
Property Insights of (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate
The XLogP value of 3.4 indicates that (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate has 0 hydrogen bond donor(s) and 5 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)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate?
The CAS number of (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate is 1164528-52-2.
What is the molecular formula of (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate?
The molecular formula of (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate is C17H18N2O3S.
What is the molecular weight of (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate?
The molecular weight of (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate is 330.10 g/mol.
Where can I buy (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate?
You can request a quote for (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-cyano-2-(5-ethyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.