Diethyl acryloylphosphonate
TL;DR: Diethyl acryloylphosphonate (CAS 54559-39-6) is a chemical compound with molecular formula C7H13O4P and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylprop-2-en-1-one
Also Known As: diethyl acryloylphosphonate, 1-diethoxyphosphorylprop-2-en-1-one, acryloyl-phosphonic acid diethyl ester, DIETHYL PROP-2-ENOYLPHOSPHONATE, Phosphonic acid, (1-oxo-2-propenyl)-, diethyl ester (9CI)
| Molecular Formula | C7H13O4P |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.05515 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 54559-39-6 |
|---|---|
| SMILES | CCOP(=O)(C(=O)C=C)OCC |
| InChIKey | BEZCEQQRYYDZSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl acryloylphosphonate (CAS 54559-39-6), with molecular formula C7H13O4P and molecular weight 192.06 g/mol. IUPAC: 1-diethoxyphosphorylprop-2-en-1-one.
Chemical Property Profile of Diethyl acryloylphosphonate
Property Insights of Diethyl acryloylphosphonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acryloylphosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl acryloylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl acryloylphosphonate 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 acryloylphosphonate?
The CAS number of Diethyl acryloylphosphonate is 54559-39-6.
What is the molecular formula of Diethyl acryloylphosphonate?
The molecular formula of Diethyl acryloylphosphonate is C7H13O4P.
What is the molecular weight of Diethyl acryloylphosphonate?
The molecular weight of Diethyl acryloylphosphonate is 192.06 g/mol.
Where can I buy Diethyl acryloylphosphonate?
You can request a quote for Diethyl acryloylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acryloylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acryloylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.