Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester
TL;DR: Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester (CAS 40226-04-8) is a chemical compound with molecular formula C14H29O5P and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diethoxyphosphoryloctanoate
Also Known As: Octanoic acid, ethyl ester, ethyl 2-diethoxyphosphoryloctanoate, ethyl 2-(diethoxyphosphoryl)octanoate, Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester, 2-Diaethoxyphosphoryl-octansaeure-aethylester
| Molecular Formula | C14H29O5P |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 308.17526 |
| Heavy Atoms | 20 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 40226-04-8 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCC)P(=O)(OCC)OCC |
| InChIKey | RUZBJWOLSQKZAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester (CAS 40226-04-8), with molecular formula C14H29O5P and molecular weight 308.18 g/mol. IUPAC: ethyl 2-diethoxyphosphoryloctanoate.
Chemical Property Profile of Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester
Property Insights of Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester
The XLogP value of 3.4 indicates that Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester. Following Lipinski's Rule of Five, Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester?
The CAS number of Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester is 40226-04-8.
What is the molecular formula of Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester?
The molecular formula of Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester is C14H29O5P.
What is the molecular weight of Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester?
The molecular weight of Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester is 308.18 g/mol.
Where can I buy Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester?
You can request a quote for Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.