TL;DR: (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CAS 110078-80-3) is a chemical compound with molecular formula C12H12FNO3S and molecular weight 269.0522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
Also Known As: TimTec1_003276, (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid, (2R,4R)-3-Acetyl-2-(4-fluorophenyl)thiazolidine-4-carboxylic acid, 4-thiazolidinecarboxylic acid, 3-acetyl-2-(4-fluorophenyl)-, (2R,4R)-, (2R,4R)-3-Acetyl-2-(4-fluorophenyl)thiazolidine-4-carboxylicacid
| Molecular Formula | C12H12FNO3S |
| Molecular Weight | 269.0522 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0522 Da |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
| SMILES | CC(=O)N1[C@@H](CS[C@@H]1C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | QRPAQKCEQIGTSY-WDEREUQCSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid. Following Lipinski's Rule of Five, (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid has 1 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 (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is 110078-80-3.
The molecular formula of (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is C12H12FNO3S.
The molecular weight of (2R,4R)-3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is 269.0522 g/mol.
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