![8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one structure](/static/products/441/441316-18-3.png)
8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one
TL;DR: 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one (CAS 441316-18-3) is a chemical compound with molecular formula C26H22F3NO4 and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[benzyl(methyl)amino]methyl]-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one
Also Known As: 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one, 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one, 7-hydroxy-8-{[methylbenzylamino]methyl}-3-(3-methylphenoxy)-2-(trifluoromethyl )chromen-4-one, 8-((benzyl(methyl)amino)methyl)-7-hydroxy-3-(m-tolyloxy)-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C26H22F3NO4 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 6.25012 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.1501 |
| Heavy Atoms | 34 |
| Complexity | 1380.9379 |
Chemical Identifiers
| CAS Number | 441316-18-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)CC4=CC=CC=C4)O)C(F)(F)F |
Product Overview
8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one (CAS 441316-18-3), with molecular formula C26H22F3NO4 and molecular weight 469.15 g/mol. IUPAC: 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one
Property Insights of 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one
The XLogP value of 6.25012 indicates that 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-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-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-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-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one?
The CAS number of 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one is 441316-18-3.
What is the molecular formula of 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular formula of 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one is C26H22F3NO4.
What is the molecular weight of 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular weight of 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one is 469.15 g/mol.
Where can I buy 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one?
You can request a quote for 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-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 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.