3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate
TL;DR: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate (CAS 315714-13-7) is a chemical compound with molecular formula C22H18BrF3O5 and molecular weight 498.02896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate
Also Known As: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl 2-ethylbutanoate, [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate
Technical Specifications
| Molecular Formula | C22H18BrF3O5 |
| Molecular Weight | 498.02896 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.02896 Da |
| Heavy Atoms | 31 |
| Complexity | 704.0 |
| SMILES | CCC(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Br |
| InChIKey | VQALUNQELVZLFW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate
Property Insights of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate
The XLogP value of 6.4 indicates that 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate. Following Lipinski's Rule of Five, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate?
The CAS number of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate is 315714-13-7.
What is the molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate?
The molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate is C22H18BrF3O5.
What is the molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate?
The molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate is 498.02896 g/mol.
Where can I buy 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate?
You can request a quote for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate?
Yes, CoreyChem provides custom synthesis services for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.