Diethyl octylphosphonate
TL;DR: Diethyl octylphosphonate (CAS 1068-07-1) is a chemical compound with molecular formula C12H27O3P and molecular weight 250.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryloctane
Also Known As: Diethyl octylphosphonate, DIETHYL 1-OCTYLPHOSPHONATE, 1-diethoxyphosphoryloctane, diethyloctylphosphonate, Diethyl 1-octanephosphonate
| Molecular Formula | C12H27O3P |
|---|---|
| Molecular Weight | 250.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 250.16978 |
| Heavy Atoms | 16 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 1068-07-1 |
|---|---|
| SMILES | CCCCCCCCP(=O)(OCC)OCC |
| InChIKey | MVDVRXOWIPONFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl octylphosphonate (CAS 1068-07-1), with molecular formula C12H27O3P and molecular weight 250.17 g/mol. IUPAC: 1-diethoxyphosphoryloctane.
Chemical Property Profile of Diethyl octylphosphonate
Property Insights of Diethyl octylphosphonate
The XLogP value of 3.6 indicates that Diethyl octylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl octylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl octylphosphonate 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 octylphosphonate?
The CAS number of Diethyl octylphosphonate is 1068-07-1.
What is the molecular formula of Diethyl octylphosphonate?
The molecular formula of Diethyl octylphosphonate is C12H27O3P.
What is the molecular weight of Diethyl octylphosphonate?
The molecular weight of Diethyl octylphosphonate is 250.17 g/mol.
Where can I buy Diethyl octylphosphonate?
You can request a quote for Diethyl octylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl octylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl octylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.