TL;DR: 2-[2-Amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol (CAS 105258-21-7) is a chemical compound with molecular formula C24H28BrN3O2 and molecular weight 469.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol
Also Known As: 2-[2-amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol, 2-trifluoromethyl-6-ethyl-7-methoxyisoflavone, F0196-0752, 2-(2-amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl)-4-hexyl-5-methoxyphenol, 2-[2-Amino-5-(4-bromo-phenyl)-6-methyl-pyrimidin-4-yl]-4-hexyl-5-methoxy-phenol
| Molecular Formula | C24H28BrN3O2 |
| Molecular Weight | 469.1365 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.1365 Da |
| Heavy Atoms | 30 |
| Complexity | 503.0 |
| SMILES | CCCCCCC1=CC(=C(C=C1OC)O)C2=NC(=NC(=C2C3=CC=C(C=C3)Br)C)N |
| InChIKey | VLNMQCLJWZDPCY-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that 2-[2-Amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol. Following Lipinski's Rule of Five, 2-[2-Amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[2-Amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol is 105258-21-7.
The molecular formula of 2-[2-Amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol is C24H28BrN3O2.
The molecular weight of 2-[2-Amino-5-(4-bromophenyl)-6-methylpyrimidin-4-yl]-4-hexyl-5-methoxyphenol is 469.1365 g/mol.
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