Diethyl acetylphosphonate
TL;DR: Diethyl acetylphosphonate (CAS 919-19-7) is a chemical compound with molecular formula C6H13O4P and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylethanone
Also Known As: Diethyl acetylphosphonate, Acetylphosphonic Acid Diethyl Ester, 1-diethoxyphosphorylethanone, DIETHYLACETYLPHOSPHONATE, O,O-Diethyl acetylphosphonate
| Molecular Formula | C6H13O4P |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.05515 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 919-19-7 |
|---|---|
| SMILES | CCOP(=O)(C(=O)C)OCC |
| InChIKey | YOHJPFQGGNEGSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl acetylphosphonate (CAS 919-19-7), with molecular formula C6H13O4P and molecular weight 180.06 g/mol. IUPAC: 1-diethoxyphosphorylethanone.
Chemical Property Profile of Diethyl acetylphosphonate
Property Insights of Diethyl acetylphosphonate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acetylphosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl acetylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl acetylphosphonate 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
Frequently Asked Questions
What is the CAS number of Diethyl acetylphosphonate?
The CAS number of Diethyl acetylphosphonate is 919-19-7.
What is the molecular formula of Diethyl acetylphosphonate?
The molecular formula of Diethyl acetylphosphonate is C6H13O4P.
What is the molecular weight of Diethyl acetylphosphonate?
The molecular weight of Diethyl acetylphosphonate is 180.06 g/mol.
Where can I buy Diethyl acetylphosphonate?
You can request a quote for Diethyl acetylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acetylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acetylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.