3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one
TL;DR: 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one (CAS 459152-74-0) is a chemical compound with molecular formula C31H30F4O4 and molecular weight 542.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylphenoxy)-7-[(4-fluorophenyl)methoxy]-6-hexyl-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,5-dimethylphenoxy)-7-[(4-fluorobenzyl)oxy]-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,5-dimethylphenoxy)-7-[(4-fluorophenyl)methoxy]-6-hexyl-2-(trifluoromethyl )chromen-4-one, 3-(3,5-dimethylphenoxy)-7-[(4-fluorophenyl)methoxy]-6-hexyl-2-(trifluoromethyl)chromen-4-one
| Molecular Formula | C31H30F4O4 |
|---|---|
| Molecular Weight | 542.21 g/mol |
| LogP | 9.06184 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.208 |
| Heavy Atoms | 39 |
| Complexity | 1484.5361 |
Chemical Identifiers
| CAS Number | 459152-74-0 |
|---|---|
| SMILES | CCCCCCC1=CC2=C(C=C1OCC3=CC=C(C=C3)F)OC(=C(C2=O)OC4=CC(=CC(=C4)C)C)C(F)(F)F |
Product Overview
3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one (CAS 459152-74-0), with molecular formula C31H30F4O4 and molecular weight 542.21 g/mol. IUPAC: 3-(3,5-dimethylphenoxy)-7-[(4-fluorophenyl)methoxy]-6-hexyl-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one
Property Insights of 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one
The XLogP value of 9.06184 indicates that 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.67 Ų, 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one 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 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one?
The CAS number of 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one is 459152-74-0.
What is the molecular formula of 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular formula of 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one is C31H30F4O4.
What is the molecular weight of 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular weight of 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one is 542.21 g/mol.
Where can I buy 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one?
You can request a quote for 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one 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)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethylphenoxy)-7-((4-fluorobenzyl)oxy)-6-hexyl-2-(trifluoromethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.