Diethyl octanoylphosphonate
TL;DR: Diethyl octanoylphosphonate (CAS 624-57-7) is a chemical compound with molecular formula C12H25O4P and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryloctan-1-one
Also Known As: diethyl octanoylphosphonate, 1-diethoxyphosphoryloctan-1-one, Octanoyl-phosphonsaeure-diaethylester
| Molecular Formula | C12H25O4P |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 264.14905 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 624-57-7 |
|---|---|
| SMILES | CCCCCCCC(=O)P(=O)(OCC)OCC |
| InChIKey | ODWLXBMGRXVJBU-UHFFFAOYSA-N |
Product Overview
Diethyl octanoylphosphonate (CAS 624-57-7), with molecular formula C12H25O4P and molecular weight 264.15 g/mol. IUPAC: 1-diethoxyphosphoryloctan-1-one.
Chemical Property Profile of Diethyl octanoylphosphonate
Property Insights of Diethyl octanoylphosphonate
The XLogP value of 3.0 indicates that Diethyl octanoylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl octanoylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl octanoylphosphonate 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 octanoylphosphonate?
The CAS number of Diethyl octanoylphosphonate is 624-57-7.
What is the molecular formula of Diethyl octanoylphosphonate?
The molecular formula of Diethyl octanoylphosphonate is C12H25O4P.
What is the molecular weight of Diethyl octanoylphosphonate?
The molecular weight of Diethyl octanoylphosphonate is 264.15 g/mol.
Where can I buy Diethyl octanoylphosphonate?
You can request a quote for Diethyl octanoylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl octanoylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl octanoylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.