TL;DR: 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]- (CAS 452942-08-4) is a chemical compound with molecular formula C22H13F3O and molecular weight 350.09186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[[4-(trifluoromethyl)phenyl]methylidene]anthracen-9-one
Also Known As: Heneicosylacrylate, 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]-, 10-[[4-(trifluoromethyl)phenyl]methylidene]anthracen-9-one, BRD-K00404495-001-01-9, 10-{[4-(Trifluoromethyl)phenyl]methylidene}anthracen-9(10H)-one
| Molecular Formula | C22H13F3O |
| Molecular Weight | 350.09186 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.09186 Da |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4C2=O |
| InChIKey | BFMVWXQTGYNUFK-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]- is 452942-08-4.
The molecular formula of 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]- is C22H13F3O.
The molecular weight of 9(10H)-Anthracenone, 10-[[4-(trifluoromethyl)phenyl]methylene]- is 350.09186 g/mol.
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