TL;DR: (2-Methoxynaphthalen-1-yl)boronic acid (CAS 104117-41-1) is a chemical compound with molecular formula C11H11BO3 and molecular weight 202.08012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methoxynaphthalen-1-yl)boronic acid
Also Known As: (2-methoxynaphthalen-1-yl)boronic Acid, 2-METHOXY-1-NAPHTHALENEBORONIC ACID, (2-Methoxy-1-naphthyl)boronic acid, 2-METHOXYNAPHTHALENE-1-BORONIC ACID, 21MONBA
| Molecular Formula | C11H11BO3 |
| Molecular Weight | 202.08012 g/mol |
| XLogP | 0.5282 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.08012 Da |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
| SMILES | B(C1=C(C=CC2=CC=CC=C12)OC)(O)O |
| InChIKey | NHVWTZOWDLOBBS-UHFFFAOYSA-N |
The XLogP value of 0.5282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxynaphthalen-1-yl)boronic acid. With a topological polar surface area (TPSA) of 49.7 Ų, (2-Methoxynaphthalen-1-yl)boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methoxynaphthalen-1-yl)boronic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2-Methoxynaphthalen-1-yl)boronic acid is 104117-41-1.
The molecular formula of (2-Methoxynaphthalen-1-yl)boronic acid is C11H11BO3.
The molecular weight of (2-Methoxynaphthalen-1-yl)boronic acid is 202.08012 g/mol.
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