Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate
TL;DR: Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate (CAS 99988-75-7) is a chemical compound with molecular formula C12H11NO4S2 and molecular weight 297.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate, Ethyl {5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate, Ethyl 2-[5-(2-furylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, ethyl 2-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C12H11NO4S2 |
|---|---|
| Molecular Weight | 297.01 g/mol |
| LogP | 2.0439 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.01294 |
| Heavy Atoms | 19 |
| Complexity | 535.9341 |
Chemical Identifiers
| CAS Number | 99988-75-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(=CC2=CC=CO2)SC1=S |
Product Overview
Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate (CAS 99988-75-7), with molecular formula C12H11NO4S2 and molecular weight 297.01 g/mol. IUPAC: ethyl 2-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate
Property Insights of Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate
The XLogP value of 2.0439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate. With a topological polar surface area (TPSA) of 59.75 Ų, Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate has 0 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 Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate?
The CAS number of Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate is 99988-75-7.
What is the molecular formula of Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate?
The molecular formula of Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate is C12H11NO4S2.
What is the molecular weight of Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate?
The molecular weight of Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate is 297.01 g/mol.
Where can I buy Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate?
You can request a quote for Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2-furanylmethylene)-4-oxo-2-thioxo-3-thiazolidineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.