2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate
TL;DR: 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate (CAS 5952-42-1) is a chemical compound with molecular formula C8H14Cl3O5P and molecular weight 325.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-diethoxyphosphorylethyl) acetate
Also Known As: (2,2,2-trichloro-1-diethoxyphosphorylethyl) acetate, 4-02-00-00283 (Beilstein Handbook Reference), O,O-Diethyl 2,2,2-trichloro-1-acetoxyethyl phosphonate, 2,2,2-TRICHLORO-1-(DIETHOXYPHOSPHORYL)ETHYL ACETATE, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, acetate
| Molecular Formula | C8H14Cl3O5P |
|---|---|
| Molecular Weight | 325.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.96445 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5952-42-1 |
|---|---|
| SMILES | CCOP(=O)(C(C(Cl)(Cl)Cl)OC(=O)C)OCC |
| InChIKey | GRTYKGBPJIPJNZ-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate (CAS 5952-42-1), with molecular formula C8H14Cl3O5P and molecular weight 325.96 g/mol. IUPAC: (2,2,2-trichloro-1-diethoxyphosphorylethyl) acetate.
Chemical Property Profile of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate
Property Insights of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate 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 acetate?
The CAS number of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate is 5952-42-1.
What is the molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate?
The molecular formula of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate is C8H14Cl3O5P.
What is the molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate?
The molecular weight of 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate is 325.96 g/mol.
Where can I buy 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate?
You can request a quote for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.