1-Diethoxyphosphorylpropan-2-one
TL;DR: 1-Diethoxyphosphorylpropan-2-one (CAS 1067-71-6) is a chemical compound with molecular formula C7H15O4P and molecular weight 194.0708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-diethoxyphosphorylpropan-2-one
Also Known As: Diethyl (2-oxopropyl)phosphonate, 1-diethoxyphosphorylpropan-2-one, DIETHYL ACETONYLPHOSPHONATE, aurora ka-1476, Diethyl(2-oxopropyl)phosphonate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H15O4P |
| Molecular Weight | 194.0708 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0708 Da |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
| SMILES | CCOP(=O)(CC(=O)C)OCC |
| InChIKey | RSAFKRSMGOSHRK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Diethoxyphosphorylpropan-2-one
Property Insights of 1-Diethoxyphosphorylpropan-2-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Diethoxyphosphorylpropan-2-one. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Diethoxyphosphorylpropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Diethoxyphosphorylpropan-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Diethoxyphosphorylpropan-2-one?
The CAS number of 1-Diethoxyphosphorylpropan-2-one is 1067-71-6.
What is the molecular formula of 1-Diethoxyphosphorylpropan-2-one?
The molecular formula of 1-Diethoxyphosphorylpropan-2-one is C7H15O4P.
What is the molecular weight of 1-Diethoxyphosphorylpropan-2-one?
The molecular weight of 1-Diethoxyphosphorylpropan-2-one is 194.0708 g/mol.
Where can I buy 1-Diethoxyphosphorylpropan-2-one?
You can request a quote for 1-Diethoxyphosphorylpropan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Diethoxyphosphorylpropan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-Diethoxyphosphorylpropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.