Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate
TL;DR: Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate (CAS 19594-37-7) is a chemical compound with molecular formula C11H21O7PS and molecular weight 328.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-diethoxyphosphorylsulfanylpropanedioate
Also Known As: Malonate malaoxon, Malaoxon malonate, diethyl 2-diethoxyphosphorylsulfanylpropanedioate, MALONIC ACID, MERCAPTO-, S-ESTER with O,O-DIETHYLPHOSPHOROTHIOATE, O,O-Diethyl(S-1-(1,1-dicarbethoxy)methyl) phosphorothiolate
Technical Specifications
| Molecular Formula | C11H21O7PS |
| Molecular Weight | 328.07455 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 328.07455 Da |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
| SMILES | CCOC(=O)C(C(=O)OCC)SP(=O)(OCC)OCC |
| InChIKey | MGEGZTZZXITGDL-UHFFFAOYSA-N |
Chemical Property Profile of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate
Property Insights of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate. Following Lipinski's Rule of Five, Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate?
The CAS number of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate is 19594-37-7.
What is the molecular formula of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate?
The molecular formula of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate is C11H21O7PS.
What is the molecular weight of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate?
The molecular weight of Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate is 328.07455 g/mol.
Where can I buy Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate?
You can request a quote for Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate?
Yes, CoreyChem provides custom synthesis services for Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.