TL;DR: 2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane (CAS 150196-32-0) is a chemical compound with molecular formula C22H28O8S2 and molecular weight 484.12256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-methylphenyl)sulfonyloxy-2-(oxan-2-yloxy)propyl] 4-methylbenzenesulfonate
Also Known As: 2-O-Tetrahydropyranyl-1,3-ditosylpropanetriol, 2-O-Tetrahydropyranyl-1-3-ditosylpropanetriol, 2-({1,3-bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane, 2-O-Tetrahydropyranyl-1,3-di-O-p-toluenesulphonylpropanetriol, [3-(4-methylphenyl)sulfonyloxy-2-(oxan-2-yloxy)propyl] 4-methylbenzenesulfonate
| Molecular Formula | C22H28O8S2 |
| Molecular Weight | 484.12256 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.12256 Da |
| Heavy Atoms | 32 |
| Complexity | 699.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)OC3CCCCO3 |
| InChIKey | JZVMGCAMVLHQHH-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane. Following Lipinski's Rule of Five, 2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane is 150196-32-0.
The molecular formula of 2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane is C22H28O8S2.
The molecular weight of 2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane is 484.12256 g/mol.
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