Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate
TL;DR: Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate (CAS 83961-56-2) is a chemical compound with molecular formula C24H20F3O3P and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate
Also Known As: 1,2'-Bipyridinium, Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate, ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-, ETHYL4,4,4-TRIFLUORO-2- ACETOACETATE, ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-lambda5-phosphanylidene)butanoate
| Molecular Formula | C24H20F3O3P |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 3.8474 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.11023 |
| Heavy Atoms | 31 |
| Complexity | 1005.65234 |
Chemical Identifiers
| CAS Number | 83961-56-2 |
|---|---|
| SMILES | CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(F)(F)F |
Product Overview
Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate (CAS 83961-56-2), with molecular formula C24H20F3O3P and molecular weight 444.11 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate.
Chemical Property Profile of Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate
Property Insights of Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate
The XLogP value of 3.8474 indicates that Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate has 0 hydrogen bond donor(s) and 3 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 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate?
The CAS number of Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate is 83961-56-2.
What is the molecular formula of Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate?
The molecular formula of Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate is C24H20F3O3P.
What is the molecular weight of Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate?
The molecular weight of Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate is 444.11 g/mol.
Where can I buy Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate?
You can request a quote for Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.