TL;DR: 2-[2-Amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol (CAS 105258-18-2) is a chemical compound with molecular formula C18H13BrF3N3O2 and molecular weight 439.0143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol
Also Known As: 2-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol, 2-trifluoromethyl-6-ethyl-7-methoxyisoflavone, 2-(2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)-5-methoxyphenol, F0019-0825, 2-[2-Amino-5-(4-bromo-phenyl)-6-trifluoromethyl-pyrimidin-4-yl]-5-methoxy-phenol
| Molecular Formula | C18H13BrF3N3O2 |
| Molecular Weight | 439.0143 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.0143 Da |
| Heavy Atoms | 27 |
| Complexity | 491.0 |
| SMILES | COC1=CC(=C(C=C1)C2=C(C(=NC(=N2)N)C(F)(F)F)C3=CC=C(C=C3)Br)O |
| InChIKey | UJAAVYJJOOZKGA-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2-[2-Amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-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-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol. Following Lipinski's Rule of Five, 2-[2-Amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2-Amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol is 105258-18-2.
The molecular formula of 2-[2-Amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol is C18H13BrF3N3O2.
The molecular weight of 2-[2-Amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol is 439.0143 g/mol.
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