![Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate structure](/static/products/2563/256332-96-4.webp)
Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate (CAS 256332-96-4) is a chemical compound with molecular formula C11H20F3O6P and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate, ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate, Ethyl 2-((diisopropoxyphosphoryl)oxy)-3,3,3-trifluoropropanoate
| Molecular Formula | C11H20F3O6P |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.09497 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 256332-96-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)OP(=O)(OC(C)C)OC(C)C |
| InChIKey | WCEFHHYPRXXMQK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate (CAS 256332-96-4), with molecular formula C11H20F3O6P and molecular weight 336.09 g/mol. IUPAC: ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate has 0 hydrogen bond donor(s) and 9 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 Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate is 256332-96-4.
What is the molecular formula of Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate is C11H20F3O6P.
What is the molecular weight of Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate is 336.09 g/mol.
Where can I buy Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(diisopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.