TL;DR: Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide (CAS 87415-51-8) is a chemical compound with molecular formula C23H25Br2NO3 and molecular weight 521.02014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide
Also Known As: (p-Bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)ammonium bromide, AMMONIUM, (p-BROMOPHENACYL)DIMETHYL(2-HYDROXY-3-(1-NAPHTHYLOXY)PROPYL)-, BROMIDE, [2-(4-bromophenyl)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide, N-[2-(4-Bromophenyl)-2-oxoethyl]-2-hydroxy-N,N-dimethyl-3-[(naphthalen-1-yl)oxy]propan-1-aminium bromide
| Molecular Formula | C23H25Br2NO3 |
| Molecular Weight | 521.02014 g/mol |
| XLogP | 1.31 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.01807 Da |
| Heavy Atoms | 29 |
| Complexity | 504.0 |
| SMILES | C[N+](C)(CC(COC1=CC=CC2=CC=CC=C21)O)CC(=O)C3=CC=C(C=C3)Br.[Br-] |
| InChIKey | SPJIXNAXZLMRAI-UHFFFAOYSA-M |
The XLogP value of 1.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide. With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide is 87415-51-8.
The molecular formula of Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide is C23H25Br2NO3.
The molecular weight of Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide is 521.02014 g/mol.
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