TL;DR: Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate (CAS 117470-88-9) is a chemical compound with molecular formula C10H16O8S and molecular weight 296.05658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
Also Known As: 1,5-cyclooctadiene oxide, Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate, DIISOPROPYL (4R,5R)-1,3,2-DIOXATHIOLANE- 4,5-DICA.LA.DIOXIDE, 1,3,2-Dioxathiolane-4,5-dicarboxylicacid, bis(1-methylethyl) ester, 2,2-dioxide, (4R,5R)- (9CI), Di(propan-2-yl) 2,2-dioxo-1,3,2lambda~6~-dioxathiolane-4,5-dicarboxylate
| Molecular Formula | C10H16O8S |
| Molecular Weight | 296.05658 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.05658 Da |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
| SMILES | CC(C)OC(=O)C1C(OS(=O)(=O)O1)C(=O)OC(C)C |
| InChIKey | AYLBDDPIVXJHHE-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate 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 Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate is 117470-88-9.
The molecular formula of Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate is C10H16O8S.
The molecular weight of Dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate is 296.05658 g/mol.
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