TL;DR: 4-Hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid (CAS 1008981-54-1) is a chemical compound with molecular formula C15H21NO5S and molecular weight 327.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 4-hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid, 4-hydroxy-1-[(2,3,5,6-tetramethylphenyl)sulfonyl]pyrrolidine-2-carboxylic acid, 4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine-2-carboxylic acid, 4-Hydroxy-1-((2,3,5,6-tetramethylphenyl)sulfonyl)pyrrolidine-2-carboxylic acid, 4-hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylicacid
| Molecular Formula | C15H21NO5S |
| Molecular Weight | 327.11404 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.11404 Da |
| Heavy Atoms | 22 |
| Complexity | 515.0 |
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC(CC2C(=O)O)O)C)C |
| InChIKey | WZTVCDXECCEDTN-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid is 1008981-54-1.
The molecular formula of 4-Hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid is C15H21NO5S.
The molecular weight of 4-Hydroxy-1-(2,3,5,6-tetramethylbenzenesulfonyl)pyrrolidine-2-carboxylic acid is 327.11404 g/mol.
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