TL;DR: methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 178881-91-9) is a chemical compound with molecular formula C15H15NO5S and molecular weight 321.0671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(4-ethoxybenzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C15H15NO5S |
| Molecular Weight | 321.0671 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0671 Da |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
| SMILES | CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC |
| InChIKey | RMCFYJMFLYGNHJ-XYOKQWHBSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 178881-91-9.
The molecular formula of methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C15H15NO5S.
The molecular weight of methyl [(5E)-5-(4-ethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 321.0671 g/mol.
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