![Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate structure](/static/products/2563/256332-97-5.webp)
Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate (CAS 256332-97-5) is a chemical compound with molecular formula C13H24F3O6P and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-dibutoxyphosphoryloxy-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate, ethyl 2-dibutoxyphosphoryloxy-3,3,3-trifluoropropanoate, Ethyl 2-((dibutoxyphosphoryl)oxy)-3,3,3-trifluoropropanoate, ETHYL2-[(DIBUTOXYPHOSPHORYL)OXY]-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C13H24F3O6P |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 364.12625 |
| Heavy Atoms | 23 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 256332-97-5 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OC(C(=O)OCC)C(F)(F)F |
| InChIKey | WEBLQRFRVPLHKB-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate (CAS 256332-97-5), with molecular formula C13H24F3O6P and molecular weight 364.13 g/mol. IUPAC: ethyl 2-dibutoxyphosphoryloxy-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate
The XLogP value of 3.5 indicates that Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-[(dibutoxyphosphoryl)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-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate is 256332-97-5.
What is the molecular formula of Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate is C13H24F3O6P.
What is the molecular weight of Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate is 364.13 g/mol.
Where can I buy Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-[(dibutoxyphosphoryl)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-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(dibutoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.