TL;DR: 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid (CAS 55234-12-3) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid, 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid, NCIOpen2_004265, 4-Thiazolidinecarboxylic acid, 3-formyl-2,2,5,5-tetramethyl-, N-FORMYL-DL-PENICILLAMINE ACETONE ADDUCT
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H15NO3S |
| Molecular Weight | 217.07727 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.07727 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | CC1(C(N(C(S1)(C)C)C=O)C(=O)O)C |
| InChIKey | QEIKJZZSMZXSAI-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid is 55234-12-3.
The molecular formula of 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid is C9H15NO3S.
The molecular weight of 3-Formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid is 217.07727 g/mol.
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