TL;DR: 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)- (CAS 151956-05-7) is a chemical compound with molecular formula C18H12FNO3S and molecular weight 341.0522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
Also Known As: 3-Phenacyl-5-(3-fluorobenzylidene)thiazolidine-2,4-dione, 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)-, 5-((3-Fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)-2,4-thiazolidinedione, (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H12FNO3S |
| Molecular Weight | 341.0522 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0522 Da |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CN2C(=O)/C(=C\C3=CC(=CC=C3)F)/SC2=O |
| InChIKey | BROYDCLOXVZVOZ-MHWRWJLKSA-N |
The XLogP value of 3.9 indicates that 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)-. Following Lipinski's Rule of Five, 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)- is 151956-05-7.
The molecular formula of 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)- is C18H12FNO3S.
The molecular weight of 2,4-Thiazolidinedione, 5-((3-fluorophenyl)methylene)-3-(2-oxo-2-phenylethyl)- is 341.0522 g/mol.
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