8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
TL;DR: 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one (CAS 845666-73-1) is a chemical compound with molecular formula C24H25F3N2O4 and molecular weight 462.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one
Also Known As: 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one, 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one, 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one, F3385-1165, 8-[(4-ethylpiperazinyl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethy l)chromen-4-one
| Molecular Formula | C24H25F3N2O4 |
|---|---|
| Molecular Weight | 462.18 g/mol |
| LogP | 4.3305 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.17664 |
| Heavy Atoms | 33 |
| Complexity | 1197.5305 |
Chemical Identifiers
| CAS Number | 845666-73-1 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)OC)C(F)(F)F)O |
Product Overview
8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one (CAS 845666-73-1), with molecular formula C24H25F3N2O4 and molecular weight 462.18 g/mol. IUPAC: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
Property Insights of 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
The XLogP value of 4.3305 indicates that 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one has 1 hydrogen bond donor(s) and 6 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 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one?
The CAS number of 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one is 845666-73-1.
What is the molecular formula of 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular formula of 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one is C24H25F3N2O4.
What is the molecular weight of 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular weight of 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one is 462.18 g/mol.
Where can I buy 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one?
You can request a quote for 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-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-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.