![8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one structure](/static/products/459/459152-85-3.png)
8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one
TL;DR: 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one (CAS 459152-85-3) is a chemical compound with molecular formula C31H40F3NO4 and molecular weight 547.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 8-{[butyl(ethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,5-dimethylphenoxy)-8-[(butylethylamino)methyl]-6-hexyl-7-hydroxy-2-(trifl uoromethyl)chromen-4-one, 8-((butyl(ethyl)amino)methyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C31H40F3NO4 |
|---|---|
| Molecular Weight | 547.29 g/mol |
| LogP | 8.67134 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 547.29095 |
| Heavy Atoms | 39 |
| Complexity | 1310.1244 |
Chemical Identifiers
| CAS Number | 459152-85-3 |
|---|---|
| SMILES | CCCCCCC1=CC2=C(C(=C1O)CN(CC)CCCC)OC(=C(C2=O)OC3=CC(=CC(=C3)C)C)C(F)(F)F |
Product Overview
8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one (CAS 459152-85-3), with molecular formula C31H40F3NO4 and molecular weight 547.29 g/mol. IUPAC: 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Property Insights of 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one
The XLogP value of 8.67134 indicates that 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one. Following Lipinski's Rule of Five, 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one has 1 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 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The CAS number of 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one is 459152-85-3.
What is the molecular formula of 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The molecular formula of 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one is C31H40F3NO4.
What is the molecular weight of 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The molecular weight of 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one is 547.29 g/mol.
Where can I buy 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
You can request a quote for 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)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 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-[[butyl(ethyl)amino]methyl]-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.