TL;DR: 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine (CAS 158610-48-1) is a chemical compound with molecular formula C20H28N2O2 and molecular weight 328.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butoxy-2-(5-hexylpyrimidin-2-yl)phenol
Also Known As: 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine, 5-BUTOXY-2-(5-HEXYLPYRIMIDIN-2-YL)PHENOL, 5-Butoxy-2-(5-hexyl-2-pyrimidinyl)phenol, 5-Butoxy-2-(5-hexyl-2-pyrimidinyl)phenol #, Phenol,5-butoxy-2-(5-hexyl-2-pyrimidinyl)-
| Molecular Formula | C20H28N2O2 |
| Molecular Weight | 328.2151 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.2151 Da |
| Heavy Atoms | 24 |
| Complexity | 319.0 |
| SMILES | CCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OCCCC)O |
| InChIKey | TYFDWBGHEFVETN-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine is 158610-48-1.
The molecular formula of 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine is C20H28N2O2.
The molecular weight of 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine is 328.2151 g/mol.
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