TL;DR: 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate (CAS 123332-33-2) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,6-dibutyl-4-methoxynaphthalen-1-yl) acetate
Also Known As: 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate, (2,6-Dibutyl-4-methoxynaphthalen-1-yl) acetate, 2,6-dibutyl-4-methoxynaphthalen-1-yl acetate, 1-Acetoxy-2-butyl-4-methoxy-6-butylnaphthalene, (2,6-dibutyl-4-methoxy-naphthalen-1-yl) Acetate
| Molecular Formula | C21H28O3 |
| Molecular Weight | 328.20386 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.20386 Da |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
| SMILES | CCCCC1=CC2=C(C=C(C(=C2C=C1)OC(=O)C)CCCC)OC |
| InChIKey | PWGJSDGHEMNEKH-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate is 123332-33-2.
The molecular formula of 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate is C21H28O3.
The molecular weight of 1-Naphthalenol, 2,6-dibutyl-4-methoxy-, acetate is 328.20386 g/mol.
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