TL;DR: Acetophenone, 4'-bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethyl- (CAS 73931-92-7) is a chemical compound with molecular formula C15H17BrN2O and molecular weight 320.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanone
Also Known As: 4'-Bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethylacetophenone, ACETOPHENONE, 4'-BROMO-2-(1-IMIDAZOLYL)-2',3',5',6'-TETRAMETHYL-, 1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanone, 1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-(1H-imidazol-1-yl)ethan-1-one, 1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanon
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H17BrN2O |
| Molecular Weight | 320.05243 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.05243 Da |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
| SMILES | CC1=C(C(=C(C(=C1C(=O)CN2C=CN=C2)C)C)Br)C |
| InChIKey | NOMMVAHXJWVYNX-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Acetophenone, 4'-bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, Acetophenone, 4'-bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 4'-bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetophenone, 4'-bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethyl- is 73931-92-7.
The molecular formula of Acetophenone, 4'-bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethyl- is C15H17BrN2O.
The molecular weight of Acetophenone, 4'-bromo-2-(1-imidazolyl)-2',3',5',6'-tetramethyl- is 320.05243 g/mol.
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