TL;DR: Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)- (CAS 1098-29-9) is a chemical compound with molecular formula C21H16BrFO and molecular weight 382.03687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-2-bromo-2-(2-fluorophenyl)-1-phenylethenyl]-4-methoxybenzene
Also Known As: Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)-, Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, Stilbene, alpha'-bromo-2'-fluoro-4-methoxy-alpha-phenyl-, 1-Bromo-1-(o-fluorophenyl)-2-(p-methoxyphenyl)-2-phenylethylene, Stilbene, alpha'-bromo-2'-fluoro-4-methoxy-alpha-phenyl-, (Z)-
| Molecular Formula | C21H16BrFO |
| Molecular Weight | 382.03687 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.03687 Da |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
| SMILES | COC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2F)/Br)/C3=CC=CC=C3 |
| InChIKey | IBCLOVSFKLVNSO-QZQOTICOSA-N |
The XLogP value of 6.6 indicates that Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)- is 1098-29-9.
The molecular formula of Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)- is C21H16BrFO.
The molecular weight of Anisole, p-(beta-bromo-o-fluoro-alpha-phenylstyryl)-, (Z)- is 382.03687 g/mol.
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