TL;DR: 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester (CAS 106086-12-8) is a chemical compound with molecular formula C19H22N2O6S and molecular weight 406.11984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-tert-butyl 4-O-(2,5-dioxopyrrolidin-1-yl) 2-phenyl-1,3-thiazolidine-3,4-dicarboxylate
Also Known As: 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester, N-Oxysuccinimido-N'-tert-butyloxycarbonyl-2-phenylthiazolidine-4-carboxylate, 3-O-tert-butyl 4-O-(2,5-dioxopyrrolidin-1-yl) 2-phenyl-1,3-thiazolidine-3,4-dicarboxylate, 3-tert-Butyl 4-(2,5-dioxopyrrolidin-1-yl) 2-phenyl-1,3-thiazolidine-3,4-dicarboxylate, tert-Butyl 4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}-2-phenyl-1,3-thiazolidine-3-carboxylate
| Molecular Formula | C19H22N2O6S |
| Molecular Weight | 406.11984 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.11984 Da |
| Heavy Atoms | 28 |
| Complexity | 639.0 |
| SMILES | CC(C)(C)OC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O |
| InChIKey | MPWGRKDSNIJXKF-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester is 106086-12-8.
The molecular formula of 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester is C19H22N2O6S.
The molecular weight of 3-Thiazolidinecarboxylic acid, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-phenyl-, 1,1-dimethylethyl ester is 406.11984 g/mol.
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