TL;DR: Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl- (CAS 106877-53-6) is a chemical compound with molecular formula C26H22O4 and molecular weight 398.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-2-[2,3,5,6-tetramethyl-4-(2-oxo-2-phenylacetyl)phenyl]ethane-1,2-dione
Also Known As: 2-AMINO-3-TRIFLUOROMETHYL-PHENOL, 3,6-bis(2-phenyl-1,2-dioxoethyl) durene, Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl-, 1-phenyl-2-[2,3,5,6-tetramethyl-4-(2-oxo-2-phenylacetyl)phenyl]ethane-1,2-dione, 1,1 -(2,3,5,6-Tetramethyl-1,4-phenylene)bis(2-phenylethanedione)
| Molecular Formula | C26H22O4 |
| Molecular Weight | 398.1518 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1518 Da |
| Heavy Atoms | 30 |
| Complexity | 595.0 |
| SMILES | CC1=C(C(=C(C(=C1C(=O)C(=O)C2=CC=CC=C2)C)C)C(=O)C(=O)C3=CC=CC=C3)C |
| InChIKey | PJXZTLDBNPQXNE-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl-. Following Lipinski's Rule of Five, Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl- is 106877-53-6.
The molecular formula of Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl- is C26H22O4.
The molecular weight of Ethanedione, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis[2-phenyl- is 398.1518 g/mol.
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