2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate
TL;DR: 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate (CAS 69494-08-2) is a chemical compound with molecular formula C11H20Cl3O5P and molecular weight 368.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-diethoxyphosphorylethyl) pentanoate
Also Known As: Valericacid2,2,2-trichloro-1- ethylester, 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate, O,O-Diethyl 2,2,2-trichloro-1-valeryloxy ethyl phosphonate, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, valerate, (2,2,2-trichloro-1-diethoxyphosphorylethyl) pentanoate
| Molecular Formula | C11H20Cl3O5P |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 4.6822 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 368.01138 |
| Heavy Atoms | 20 |
| Complexity | 335.44052 |
Chemical Identifiers
| CAS Number | 69494-08-2 |
|---|---|
| SMILES | CCCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC |
Product Overview
2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate (CAS 69494-08-2), with molecular formula C11H20Cl3O5P and molecular weight 368.01 g/mol. IUPAC: (2,2,2-trichloro-1-diethoxyphosphorylethyl) pentanoate.
Chemical Property Profile of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate
Property Insights of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate
The XLogP value of 4.6822 indicates that 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate 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 pentanoate. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate 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 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate?
The CAS number of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate is 69494-08-2.
What is the molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate?
The molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate is C11H20Cl3O5P.
What is the molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate?
The molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate is 368.01 g/mol.
Where can I buy 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate?
You can request a quote for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate 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 pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.