TL;DR: 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide (CAS 371218-46-1) is a chemical compound with molecular formula C29H24N2O5 and molecular weight 480.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-ethoxyphenyl)-4-oxido-1-[(4-phenoxyphenyl)methoxy]quinoxalin-4-ium-2-one
Also Known As: 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide, 3-(4-ethoxyphenyl)-4-oxido-1-[(4-phenoxyphenyl)methoxy]quinoxalin-2-one, 2-(4-ethoxyphenyl)-3-oxo-4-((4-phenoxybenzyl)oxy)-3,4-dihydroquinoxaline 1-oxide, 3-(4-ethoxyphenyl)-4-oxido-1-[(4-phenoxyphenyl)methoxy]quinoxalin-4-ium-2-one
| Molecular Formula | C29H24N2O5 |
| Molecular Weight | 480.16852 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.16852 Da |
| Heavy Atoms | 36 |
| Complexity | 751.0 |
| SMILES | CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)OC5=CC=CC=C5)[O-] |
| InChIKey | DXHIVGJKLYYQID-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide is 371218-46-1.
The molecular formula of 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide is C29H24N2O5.
The molecular weight of 3-(4-ethoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one 4-oxide is 480.16852 g/mol.
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