TL;DR: Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide (CAS 155272-59-6) is a chemical compound with molecular formula C18H22BrNO4 and molecular weight 395.0732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]chromen-2-one bromide
Also Known As: Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide, 1-Azoniabicyclo(2.2.2)octane, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide, 7-[2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]chromen-2-one;bromide, Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl) -, bromide, 7-[2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]chromen-2-one bromide
| Molecular Formula | C18H22BrNO4 |
| Molecular Weight | 395.0732 g/mol |
| XLogP | -1.2229 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.0732 Da |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
| SMILES | C1C[N+]2(CCC1C(C2)O)CCOC3=CC4=C(C=C3)C=CC(=O)O4.[Br-] |
| InChIKey | RIQRCCQTTCVTEF-UHFFFAOYSA-M |
The XLogP value of -1.2229 indicates that Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide is 155272-59-6.
The molecular formula of Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide is C18H22BrNO4.
The molecular weight of Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide is 395.0732 g/mol.
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