Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate
TL;DR: Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate (CAS 36958-87-9) is a chemical compound with molecular formula C9H13NO3S and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate
Also Known As: Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate, 2-Carbaethoxymethylen-3-aethylthiazolidin-4-on, ethyl 2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate, Ethyl 2-(3-ethyl-4-oxo-2-thiazolidinylidene)acetate, ethyl (3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 36958-87-9 |
|---|---|
| SMILES | CCN1C(=O)CSC1=CC(=O)OCC |
| InChIKey | JYTPTLJKVSVQDW-UHFFFAOYSA-N |
Product Overview
Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate (CAS 36958-87-9), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: ethyl 2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate
Property Insights of Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate has 0 hydrogen bond donor(s) and 4 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 Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate?
The CAS number of Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate is 36958-87-9.
What is the molecular formula of Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate?
The molecular formula of Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate is C9H13NO3S.
What is the molecular weight of Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate?
The molecular weight of Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate is 215.06 g/mol.
Where can I buy Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate?
You can request a quote for Ethyl (3-ethyl-4-oxothiazolidin-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 Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.