3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate
TL;DR: 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate (CAS 307544-04-3) is a chemical compound with molecular formula C25H16F4O5 and molecular weight 472.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate
Also Known As: 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate, AF-399/15034071, [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate, 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl 4-fluorobenzoate
| Molecular Formula | C25H16F4O5 |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | 6.57924 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.09338 |
| Heavy Atoms | 34 |
| Complexity | 1433.3833 |
Chemical Identifiers
| CAS Number | 307544-04-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)F)C(F)(F)F)C |
Product Overview
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate (CAS 307544-04-3), with molecular formula C25H16F4O5 and molecular weight 472.09 g/mol. IUPAC: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate.
Chemical Property Profile of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate
Property Insights of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate
The XLogP value of 6.57924 indicates that 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate?
The CAS number of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate is 307544-04-3.
What is the molecular formula of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate?
The molecular formula of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate is C25H16F4O5.
What is the molecular weight of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate?
The molecular weight of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate is 472.09 g/mol.
Where can I buy 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate?
You can request a quote for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.