TL;DR: 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione (CAS 859108-89-7) is a chemical compound with molecular formula C27H18F2O6 and molecular weight 476.10715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(2,6-difluorophenyl)methoxy]-4-(8-methoxy-2-oxochromen-3-yl)-8-methylchromen-2-one
Also Known As: 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione, 7'-[(2,6-difluorobenzyl)oxy]-8-methoxy-8'-methyl-2H,2'H-3,4'-bichromene-2,2'-dione, 7-[(2,6-difluorophenyl)methoxy]-4-(8-methoxy-2-oxo-chromen-3-yl)-8-methyl-chromen-2-one, 7-[(2,6-difluorophenyl)methoxy]-4-(8-methoxy-2-oxochromen-3-yl)-8-methylchromen-2-one
| Molecular Formula | C27H18F2O6 |
| Molecular Weight | 476.10715 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.10715 Da |
| Heavy Atoms | 35 |
| Complexity | 877.0 |
| SMILES | CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C(=CC=C4)OC)OC3=O)OCC5=C(C=CC=C5F)F |
| InChIKey | HKHNZNRHENXJSK-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione. Following Lipinski's Rule of Five, 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione is 859108-89-7.
The molecular formula of 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione is C27H18F2O6.
The molecular weight of 7'-((2,6-difluorobenzyl)oxy)-8-methoxy-8'-methyl-2H,2'H-[3,4'-bichromene]-2,2'-dione is 476.10715 g/mol.
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