TL;DR: 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate (CAS 123332-29-6) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-butyl-4,5-dimethoxynaphthalen-1-yl) acetate
Also Known As: 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate, (2-Butyl-4,5-dimethoxynaphthalen-1-yl) acetate, 2-BUTYL-4,5-DIMETHOXYNAPHTHALEN-1-YL ACETATE, (2-butyl-4,5-dimethoxy-naphthalen-1-yl) Acetate, 1-Acetoxy-2-butyl-4-methoxy-5-methoxynaphthalene
| Molecular Formula | C18H22O4 |
| Molecular Weight | 302.1518 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1518 Da |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
| SMILES | CCCCC1=CC(=C2C(=C1OC(=O)C)C=CC=C2OC)OC |
| InChIKey | YOQVDHCJYSJKDI-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate is 123332-29-6.
The molecular formula of 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate is C18H22O4.
The molecular weight of 1-Naphthalenol, 2-butyl-4,5-dimethoxy-, acetate is 302.1518 g/mol.
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