(E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
TL;DR: (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate (CAS 1164463-82-4) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-cyano-2-[5-(2-hydroxyethyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetate
Also Known As: (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate, ethyl (2E)-cyano[5-(2-hydroxyethyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanoate, ethyl (2E)-2-cyano-2-[5-(2-hydroxyethyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetate
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 1164463-82-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/1\N(C(=O)C(S1)CCO)C2=CC=CC=C2)/C#N |
| InChIKey | QOUYCVPVIJHRFS-NTCAYCPXSA-N |
Product Overview
(E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate (CAS 1164463-82-4), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: ethyl (2E)-2-cyano-2-[5-(2-hydroxyethyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetate.
Chemical Property Profile of (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
Property Insights of (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate has 1 hydrogen bond donor(s) and 6 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-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
The CAS number of (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate is 1164463-82-4.
What is the molecular formula of (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
The molecular formula of (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate is C16H16N2O4S.
What is the molecular weight of (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
The molecular weight of (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate is 332.08 g/mol.
Where can I buy (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
You can request a quote for (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-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-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-cyano-2-(5-(2-hydroxyethyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.