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Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate (CAS 256332-99-7) is a chemical compound with molecular formula C15H28F3O6P and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[bis(3-methylbutoxy)phosphoryloxy]-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate, ethyl 2-[bis(3-methylbutoxy)phosphoryloxy]-3,3,3-trifluoropropanoate, ethyl 2-{[bis(3-methylbutoxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate, ethyl 2-((bis(isopentyloxy)phosphoryl)oxy)-3,3,3-trifluoropropanoate, ETHYL2-([DI(ISOPENTYLOXY)PHOSPHORYL]OXY)-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C15H28F3O6P |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | 4.7305 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 392.15756 |
| Heavy Atoms | 25 |
| Complexity | 421.47287 |
Chemical Identifiers
| CAS Number | 256332-99-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)OP(=O)(OCCC(C)C)OCCC(C)C |
Product Overview
Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate (CAS 256332-99-7), with molecular formula C15H28F3O6P and molecular weight 392.16 g/mol. IUPAC: ethyl 2-[bis(3-methylbutoxy)phosphoryloxy]-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate
The XLogP value of 4.7305 indicates that Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate has 0 hydrogen bond donor(s) and 6 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-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is 256332-99-7.
What is the molecular formula of Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is C15H28F3O6P.
What is the molecular weight of Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is 392.16 g/mol.
Where can I buy Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-{[di(isopentyloxy)phosphoryl]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-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[di(isopentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.