![Diethyl [3-(trifluoromethyl)benzoyl]phosphonate structure](/static/products/862/86208-45-9.png)
Diethyl [3-(trifluoromethyl)benzoyl]phosphonate
TL;DR: Diethyl [3-(trifluoromethyl)benzoyl]phosphonate (CAS 86208-45-9) is a chemical compound with molecular formula C12H14F3O4P and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphoryl-[3-(trifluoromethyl)phenyl]methanone
Also Known As: diethyl [3-(trifluoromethyl)benzoyl]phosphonate, diethoxyphosphoryl-[3-(trifluoromethyl)phenyl]methanone, diethyl 3-(trifluoromethyl)benzoylphosphonate
| Molecular Formula | C12H14F3O4P |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 4.1117 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.05817 |
| Heavy Atoms | 20 |
| Complexity | 517.6789 |
Chemical Identifiers
| CAS Number | 86208-45-9 |
|---|---|
| SMILES | CCOP(=O)(C(=O)C1=CC(=CC=C1)C(F)(F)F)OCC |
Product Overview
Diethyl [3-(trifluoromethyl)benzoyl]phosphonate (CAS 86208-45-9), with molecular formula C12H14F3O4P and molecular weight 310.06 g/mol. IUPAC: diethoxyphosphoryl-[3-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of Diethyl [3-(trifluoromethyl)benzoyl]phosphonate
Property Insights of Diethyl [3-(trifluoromethyl)benzoyl]phosphonate
The XLogP value of 4.1117 indicates that Diethyl [3-(trifluoromethyl)benzoyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl [3-(trifluoromethyl)benzoyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [3-(trifluoromethyl)benzoyl]phosphonate has 0 hydrogen bond donor(s) and 4 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 Diethyl [3-(trifluoromethyl)benzoyl]phosphonate?
The CAS number of Diethyl [3-(trifluoromethyl)benzoyl]phosphonate is 86208-45-9.
What is the molecular formula of Diethyl [3-(trifluoromethyl)benzoyl]phosphonate?
The molecular formula of Diethyl [3-(trifluoromethyl)benzoyl]phosphonate is C12H14F3O4P.
What is the molecular weight of Diethyl [3-(trifluoromethyl)benzoyl]phosphonate?
The molecular weight of Diethyl [3-(trifluoromethyl)benzoyl]phosphonate is 310.06 g/mol.
Where can I buy Diethyl [3-(trifluoromethyl)benzoyl]phosphonate?
You can request a quote for Diethyl [3-(trifluoromethyl)benzoyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [3-(trifluoromethyl)benzoyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [3-(trifluoromethyl)benzoyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.