TL;DR: 9-(4-Bromobutyl)anthracene (CAS 155827-12-6) is a chemical compound with molecular formula C18H17Br and molecular weight 312.05136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(4-bromobutyl)anthracene
Also Known As: 9-(4-Bromobutyl)anthracene, Anthracene, 9-(4-bromobutyl)-, 9-(4-Bromobutyl)anthracene #, 4-(9-anthracenyl)butyl bromide
| Molecular Formula | C18H17Br |
| Molecular Weight | 312.05136 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.05136 Da |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCCCBr |
| InChIKey | VKDWNMPLUHSKKU-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 9-(4-Bromobutyl)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 9-(4-Bromobutyl)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-Bromobutyl)anthracene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9-(4-Bromobutyl)anthracene is 155827-12-6.
The molecular formula of 9-(4-Bromobutyl)anthracene is C18H17Br.
The molecular weight of 9-(4-Bromobutyl)anthracene is 312.05136 g/mol.
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