4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate
TL;DR: 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate (CAS 449740-78-7) is a chemical compound with molecular formula C21H17F3O4 and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate
Also Known As: 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl pivalate, [4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate, 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl 2,2-dimethylpropanoate, 4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate
| Molecular Formula | C21H17F3O4 |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | 5.4303 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.10788 |
| Heavy Atoms | 28 |
| Complexity | 1090.8094 |
Chemical Identifiers
| CAS Number | 449740-78-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate (CAS 449740-78-7), with molecular formula C21H17F3O4 and molecular weight 390.11 g/mol. IUPAC: [4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate
Property Insights of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate
The XLogP value of 5.4303 indicates that 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate?
The CAS number of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate is 449740-78-7.
What is the molecular formula of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate?
The molecular formula of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate is C21H17F3O4.
What is the molecular weight of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate?
The molecular weight of 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate is 390.11 g/mol.
Where can I buy 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate?
You can request a quote for 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.