TL;DR: 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)- (CAS 139506-07-3) is a chemical compound with molecular formula C10H20O6S2 and molecular weight 300.07013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2R)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
Also Known As: (R,R)-1,2-Bis(Methanesulphonyloxymethyl)cyclohexane, Lurasidone Impurity 40, Lurasidone Impurity 48, (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H20O6S2 |
| Molecular Weight | 300.07013 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.07013 Da |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
| SMILES | CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C |
| InChIKey | JIHKCHWEXXZTOU-UWVGGRQHSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)-. Following Lipinski's Rule of Five, 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)- has 0 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 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)- is 139506-07-3.
The molecular formula of 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)- is C10H20O6S2.
The molecular weight of 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)- is 300.07013 g/mol.
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