![3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one structure](/static/products/441/441737-91-3.png)
3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
TL;DR: 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 441737-91-3) is a chemical compound with molecular formula C29H27F3N2O4 and molecular weight 524.19 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-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one, 3-([1,1'-biphenyl]-4-yloxy)-8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-{[1,1'-BIPHENYL]-4-YLOXY}-8-[(4-ETHYLPIPERAZIN-1-YL)METHYL]-7-HYDROXY-2-(TRIFLUOROMETHYL)-4H-CHROMEN-4-ONE, 8-[(4-ethylpiperazinyl)methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethy l)chromen-4-one
| Molecular Formula | C29H27F3N2O4 |
|---|---|
| Molecular Weight | 524.19 g/mol |
| LogP | 6.1142 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.1923 |
| Heavy Atoms | 38 |
| Complexity | 1476.7133 |
Chemical Identifiers
| CAS Number | 441737-91-3 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O |
Product Overview
3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 441737-91-3), with molecular formula C29H27F3N2O4 and molecular weight 524.19 g/mol. IUPAC: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Property Insights of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
The XLogP value of 6.1142 indicates that 3-(biphenyl-4-yloxy)-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 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The CAS number of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is 441737-91-3.
What is the molecular formula of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular formula of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is C29H27F3N2O4.
What is the molecular weight of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular weight of 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is 524.19 g/mol.
Where can I buy 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
You can request a quote for 3-(biphenyl-4-yloxy)-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-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(biphenyl-4-yloxy)-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.