2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate
TL;DR: 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate (CAS 69382-24-7) is a chemical compound with molecular formula C10H18Cl3O5P and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-diethoxyphosphorylethyl) 2-methylpropanoate
Also Known As: phosphoricaciddiethyl1-2,2,2-trichloroethylester, 4-02-00-00851 (Beilstein Handbook Reference), O,O-Diethyl 2,2,2-trichloro-1-isobutyryloxyethyl phosphonate, 2,2,2-trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, isobutyrate
| Molecular Formula | C10H18Cl3O5P |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.99576 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 69382-24-7 |
|---|---|
| SMILES | CCOP(=O)(C(C(Cl)(Cl)Cl)OC(=O)C(C)C)OCC |
| InChIKey | AQESKIHROCBQOG-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate (CAS 69382-24-7), with molecular formula C10H18Cl3O5P and molecular weight 354.00 g/mol. IUPAC: (2,2,2-trichloro-1-diethoxyphosphorylethyl) 2-methylpropanoate.
Chemical Property Profile of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate
Property Insights of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate
The XLogP value of 3.2 indicates that 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate 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 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate 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 2-methylpropanoate?
The CAS number of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate is 69382-24-7.
What is the molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate?
The molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate is C10H18Cl3O5P.
What is the molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate?
The molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate is 354.00 g/mol.
Where can I buy 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate?
You can request a quote for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate 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 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.