TL;DR: 2',6'-Difluoroamodiaquine (CAS 155020-40-9) is a chemical compound with molecular formula C20H20ClF2N3O and molecular weight 391.12628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)-3,6-difluorophenol
Also Known As: 2',6'-Difluoroamodiaquine, 2/',6/'-Difluoroamodiaquine, 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)-3,6-difluorophenol, 4-[(7-Chloroquinolin-4-ylAmino]-2-(Diethylaminomethyl)-3,6-Difluorophenol, 4-((7-Chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-3,6-difluorophenol
| Molecular Formula | C20H20ClF2N3O |
| Molecular Weight | 391.12628 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.12628 Da |
| Heavy Atoms | 27 |
| Complexity | 471.0 |
| SMILES | CCN(CC)CC1=C(C(=CC(=C1O)F)NC2=C3C=CC(=CC3=NC=C2)Cl)F |
| InChIKey | WNWQFAFJVCDDLQ-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2',6'-Difluoroamodiaquine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.4 Ų, 2',6'-Difluoroamodiaquine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',6'-Difluoroamodiaquine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2',6'-Difluoroamodiaquine is 155020-40-9.
The molecular formula of 2',6'-Difluoroamodiaquine is C20H20ClF2N3O.
The molecular weight of 2',6'-Difluoroamodiaquine is 391.12628 g/mol.
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