ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate
TL;DR: ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate (CAS 26312-94-7) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
Also Known As: Maybridge4_002293, ethyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate, ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate, Acetic acid, (4-oxo-2-thiazolidinylidene)-, ethyl ester, Acetic acid,2-(4-oxo-2-thiazolidinylidene)-, ethyl ester
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 26312-94-7 |
|---|---|
| SMILES | CCOC(=O)C=C1NC(=O)CS1 |
| InChIKey | GFDHQCVQEZVPRQ-UHFFFAOYSA-N |
Product Overview
ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate (CAS 26312-94-7), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: ethyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate
Property Insights of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate 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
Frequently Asked Questions
What is the CAS number of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
The CAS number of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate is 26312-94-7.
What is the molecular formula of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
The molecular formula of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate is C7H9NO3S.
What is the molecular weight of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
The molecular weight of ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate is 187.03 g/mol.
Where can I buy ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
You can request a quote for ethyl (2E)-2-(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 (2E)-2-(4-oxothiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.