Diethyl ethylphosphonate
TL;DR: Diethyl ethylphosphonate (CAS 78-38-6) is a chemical compound with molecular formula C6H15O3P and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(ethyl)phosphoryl]oxyethane
Also Known As: DIETHYL ETHYLPHOSPHONATE, Diethyl ethanephosphonate, Diethylethylphosphonate, Europium(ii)bromide, Amgard v 490
| Molecular Formula | C6H15O3P |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.07588 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| Melting Point | 197.8 °C |
| Boiling Point | 180 to 82.8 °C at 11 mmHg |
| Density | 1.0259 at 20.0 °C |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 104.4 °C |
| Vapor Pressure | 0.31 [mmHg] |
| Refractive Index | 1.4163 @ 20 °C |
Chemical Identifiers
| CAS Number | 78-38-6 |
|---|---|
| SMILES | CCOP(=O)(CC)OCC |
| InChIKey | AATNZNJRDOVKDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ethylphosphonate (CAS 78-38-6), with molecular formula C6H15O3P and molecular weight 166.08 g/mol. IUPAC: 1-[ethoxy(ethyl)phosphoryl]oxyethane.
Chemical Property Profile of Diethyl ethylphosphonate
Property Insights of Diethyl ethylphosphonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl ethylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethylphosphonate has 0 hydrogen bond donor(s) and 3 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 ethylphosphonate?
The CAS number of Diethyl ethylphosphonate is 78-38-6.
What is the molecular formula of Diethyl ethylphosphonate?
The molecular formula of Diethyl ethylphosphonate is C6H15O3P.
What is the molecular weight of Diethyl ethylphosphonate?
The molecular weight of Diethyl ethylphosphonate is 166.08 g/mol.
Where can I buy Diethyl ethylphosphonate?
You can request a quote for Diethyl ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.