TL;DR: 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]- (CAS 160579-90-8) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: BAS 00331474, 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]-, 5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione, 2,4-Thiazolidinedione,5-[[4-(1-methylethyl)phenyl]methylene], 5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
| Molecular Formula | C13H13NO2S |
| Molecular Weight | 247.0667 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0667 Da |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
| SMILES | CC(C)C1=CC=C(C=C1)C=C2C(=O)NC(=O)S2 |
| InChIKey | GXIDNNRIWNVXTL-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]-. Following Lipinski's Rule of Five, 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]- is 160579-90-8.
The molecular formula of 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]- is C13H13NO2S.
The molecular weight of 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]- is 247.0667 g/mol.
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