TL;DR: 3-(4-Ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one (CAS 866339-78-8) is a chemical compound with molecular formula C26H21F2NO4 and molecular weight 449.14386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one
Also Known As: AB00674751-01, F1602-0089, 3-(4-ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one, 3-(4-ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]-1,4-dihydroquinolin-4-one, 3-(4-ethoxybenzoyl)-6,8-difluoro-1-(4-methoxybenzyl)quinolin-4(1H)-one
| Molecular Formula | C26H21F2NO4 |
| Molecular Weight | 449.14386 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.14386 Da |
| Heavy Atoms | 33 |
| Complexity | 728.0 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3F)F)CC4=CC=C(C=C4)OC |
| InChIKey | PFBYVCKFFKFVKS-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 3-(4-Ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(4-Ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-Ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one is 866339-78-8.
The molecular formula of 3-(4-Ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one is C26H21F2NO4.
The molecular weight of 3-(4-Ethoxybenzoyl)-6,8-difluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one is 449.14386 g/mol.
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