3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate
TL;DR: 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate (CAS 691862-06-3) is a chemical compound with molecular formula C25H16F4O6 and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-fluorobenzoate
Also Known As: AB00357679-03, 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate, 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl 2-fluorobenzoate, [3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-fluorobenzoate
| Molecular Formula | C25H16F4O6 |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 6.3611 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0883 |
| Heavy Atoms | 35 |
| Complexity | 1458.7988 |
Chemical Identifiers
| CAS Number | 691862-06-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4F)C(F)(F)F |
Product Overview
3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate (CAS 691862-06-3), with molecular formula C25H16F4O6 and molecular weight 488.09 g/mol. IUPAC: [3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-fluorobenzoate.
Chemical Property Profile of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate
Property Insights of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate
The XLogP value of 6.3611 indicates that 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate. Following Lipinski's Rule of Five, 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate?
The CAS number of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate is 691862-06-3.
What is the molecular formula of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate?
The molecular formula of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate is C25H16F4O6.
What is the molecular weight of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate?
The molecular weight of 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate is 488.09 g/mol.
Where can I buy 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate?
You can request a quote for 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.