TL;DR: 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol (CAS 134720-05-1) is a chemical compound with molecular formula C15H24N2O4 and molecular weight 296.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amide
Also Known As: N-Nitrosometoprolol, N-Nitroso Metoprolol, N-nitroso-metoprolol, Metoprolol Impurity 32, HY-W726392
| Molecular Formula | C15H24N2O4 |
| Molecular Weight | 296.1736 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 296.1736 Da |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
| SMILES | CC(C)N(CC(COC1=CC=C(C=C1)CCOC)O)N=O |
| InChIKey | CHTOBGHTYDROBB-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol. Following Lipinski's Rule of Five, 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol is 134720-05-1.
The molecular formula of 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol is C15H24N2O4.
The molecular weight of 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol is 296.1736 g/mol.
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