2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate
TL;DR: 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate (CAS 73825-58-8) is a chemical compound with molecular formula C11H20Cl3O5P and molecular weight 368.01138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2,2-trichloro-1-diethoxyphosphorylethyl) 3-methylbutanoate
Also Known As: 2,2,2-Trichloro-1- ethylphosphonicaciddiethylester, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, isovalerate, 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate, O,O-Diethyl 2,2,2-trichloro-1-isovaleryloxyethyl phosphonate, (2,2,2-trichloro-1-diethoxyphosphorylethyl) 3-methylbutanoate
Technical Specifications
| Molecular Formula | C11H20Cl3O5P |
| Molecular Weight | 368.01138 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 368.01138 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | CCOP(=O)(C(C(Cl)(Cl)Cl)OC(=O)CC(C)C)OCC |
| InChIKey | KSMCJXOIPNBPIJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate
Property Insights of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate
The XLogP value of 3.4 indicates that 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate 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 3-methylbutanoate. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate 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
What is the CAS number of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate?
The CAS number of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate is 73825-58-8.
What is the molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate?
The molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate is C11H20Cl3O5P.
What is the molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate?
The molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate is 368.01138 g/mol.
Where can I buy 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate?
You can request a quote for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.