2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate
TL;DR: 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate (CAS 69382-11-2) is a chemical compound with molecular formula C14H26Cl3O5P and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-diethoxyphosphorylethyl) octanoate
Also Known As: O,O-Diethyl 2,2,2-trichloro-1-octanoyloxyethyl phosphonate, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, octanoate, (2,2,2-trichloro-1-diethoxyphosphorylethyl) octanoate, 2,2,2-TRICHLORO-1-(DIETHOXYPHOSPHORYL)ETHYL OCTANOATE, Octanoic acid, ester with diethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
| Molecular Formula | C14H26Cl3O5P |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 5.8525 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 410.05835 |
| Heavy Atoms | 23 |
| Complexity | 377.09924 |
Chemical Identifiers
| CAS Number | 69382-11-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC |
Product Overview
2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate (CAS 69382-11-2), with molecular formula C14H26Cl3O5P and molecular weight 410.06 g/mol. IUPAC: (2,2,2-trichloro-1-diethoxyphosphorylethyl) octanoate.
Chemical Property Profile of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate
Property Insights of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate
The XLogP value of 5.8525 indicates that 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate?
The CAS number of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate is 69382-11-2.
What is the molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate?
The molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate is C14H26Cl3O5P.
What is the molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate?
The molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate is 410.06 g/mol.
Where can I buy 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate?
You can request a quote for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.