3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
TL;DR: 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 773152-57-1) is a chemical compound with molecular formula C25H27F3N2O5 and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, AS-871/42422245, 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, F3099-0119
| Molecular Formula | C25H27F3N2O5 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 4.8459 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.1872 |
| Heavy Atoms | 35 |
| Complexity | 1250.3065 |
Chemical Identifiers
| CAS Number | 773152-57-1 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4OCC)C(F)(F)F)O |
Product Overview
3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 773152-57-1), with molecular formula C25H27F3N2O5 and molecular weight 492.19 g/mol. IUPAC: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Property Insights of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
The XLogP value of 4.8459 indicates that 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The CAS number of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is 773152-57-1.
What is the molecular formula of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular formula of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is C25H27F3N2O5.
What is the molecular weight of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular weight of 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is 492.19 g/mol.
Where can I buy 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
You can request a quote for 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-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-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-ethoxyphenoxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.