TL;DR: alpha-Glutarate malaoxon (CAS 19594-38-8) is a chemical compound with molecular formula C13H25O7PS and molecular weight 356.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-diethoxyphosphorylsulfanyl-3-propanoyloxypropyl) propanoate
Also Known As: alpha-Glutarate malaoxon, 3-[(diethoxyphosphoryl)sulfanyl]-3-(propanoyloxy)propyl propanoate, (3-diethoxyphosphorylsulfanyl-3-propanoyloxypropyl) propanoate, O,O-Diethyl(S-1-(1,3-dicarbethoxy)propyl) phosphorothiolate, Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)propyl) ester
| Molecular Formula | C13H25O7PS |
| Molecular Weight | 356.10587 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 356.10587 Da |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
| SMILES | CCC(=O)OCCC(OC(=O)CC)SP(=O)(OCC)OCC |
| InChIKey | MYTGTIDVVHQLFF-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Glutarate malaoxon. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Glutarate malaoxon. Following Lipinski's Rule of Five, alpha-Glutarate malaoxon 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 alpha-Glutarate malaoxon is 19594-38-8.
The molecular formula of alpha-Glutarate malaoxon is C13H25O7PS.
The molecular weight of alpha-Glutarate malaoxon is 356.10587 g/mol.
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