3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one
TL;DR: 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one (CAS 846062-69-9) is a chemical compound with molecular formula C23H22ClF3N2O4 and molecular weight 482.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one, 3-(4-chlorophenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-(trifluoromethyl)-4H-chromen-4-one, F3385-1167, 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one, 3-(4-chlorophenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazinyl]methyl}-2-(trif luoromethyl)chromen-4-one
| Molecular Formula | C23H22ClF3N2O4 |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 3.9477 |
| Topological Polar Surface Area | 77.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.122 |
| Heavy Atoms | 33 |
| Complexity | 1203.5277 |
Chemical Identifiers
| CAS Number | 846062-69-9 |
|---|---|
| SMILES | C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O |
Product Overview
3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one (CAS 846062-69-9), with molecular formula C23H22ClF3N2O4 and molecular weight 482.12 g/mol. IUPAC: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one
Property Insights of 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one
The XLogP value of 3.9477 indicates that 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one has 2 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 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one?
The CAS number of 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one is 846062-69-9.
What is the molecular formula of 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular formula of 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one is C23H22ClF3N2O4.
What is the molecular weight of 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular weight of 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one is 482.12 g/mol.
Where can I buy 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one?
You can request a quote for 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-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-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.