TL;DR: Ketone, 3,5-dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl (CAS 73343-74-5) is a chemical compound with molecular formula C24H18Br2O3 and molecular weight 511.96228 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dibromo-4-hydroxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone
Also Known As: 3,5-Dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl ketone, Benzofuran, 3-(3,5-dibromo-4-hydroxybenzoyl)-2-mesityl-, KETONE, 3,5-DIBROMO-4-HYDROXYPHENYL 2-MESITYL-3-BENZOFURANYL, (Dibromo-3,5 hydroxy-4 benzoyl)-3 mesityl-2 benzofuranne, (Dibromo-3,5 hydroxy-4 benzoyl)-3 mesityl-2 benzofuranne [French]
| Molecular Formula | C24H18Br2O3 |
| Molecular Weight | 511.96228 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 513.9602 Da |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
| SMILES | CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC(=C(C(=C4)Br)O)Br)C |
| InChIKey | PYYSXWZYBKELCO-UHFFFAOYSA-N |
The XLogP value of 7.5 indicates that Ketone, 3,5-dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, Ketone, 3,5-dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, 3,5-dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ketone, 3,5-dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl is 73343-74-5.
The molecular formula of Ketone, 3,5-dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl is C24H18Br2O3.
The molecular weight of Ketone, 3,5-dibromo-4-hydroxyphenyl 2-mesityl-3-benzofuranyl is 511.96228 g/mol.
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