Ethyl 6-(diethylphosphono)hexanoate
TL;DR: Ethyl 6-(diethylphosphono)hexanoate (CAS 54965-29-6) is a chemical compound with molecular formula C12H25O5P and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-diethoxyphosphorylhexanoate
Also Known As: ETHYL 6-(DIETHYLPHOSPHONO)HEXANOATE, ethyl 6-diethoxyphosphorylhexanoate, 6- -hexanoicacidethylester, Ethyl 6-(diethoxyphosphoryl)hexanoate, Ethyl 6-(diethoxyphosphoryl)hexanoate #
| Molecular Formula | C12H25O5P |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.14395 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 54965-29-6 |
|---|---|
| SMILES | CCOC(=O)CCCCCP(=O)(OCC)OCC |
| InChIKey | YFXDHFXPPUPIKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-(diethylphosphono)hexanoate (CAS 54965-29-6), with molecular formula C12H25O5P and molecular weight 280.14 g/mol. IUPAC: ethyl 6-diethoxyphosphorylhexanoate.
Chemical Property Profile of Ethyl 6-(diethylphosphono)hexanoate
Property Insights of Ethyl 6-(diethylphosphono)hexanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(diethylphosphono)hexanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-(diethylphosphono)hexanoate. Following Lipinski's Rule of Five, Ethyl 6-(diethylphosphono)hexanoate 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 Ethyl 6-(diethylphosphono)hexanoate?
The CAS number of Ethyl 6-(diethylphosphono)hexanoate is 54965-29-6.
What is the molecular formula of Ethyl 6-(diethylphosphono)hexanoate?
The molecular formula of Ethyl 6-(diethylphosphono)hexanoate is C12H25O5P.
What is the molecular weight of Ethyl 6-(diethylphosphono)hexanoate?
The molecular weight of Ethyl 6-(diethylphosphono)hexanoate is 280.14 g/mol.
Where can I buy Ethyl 6-(diethylphosphono)hexanoate?
You can request a quote for Ethyl 6-(diethylphosphono)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(diethylphosphono)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(diethylphosphono)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.