TL;DR: Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- (CAS 129112-41-0) is a chemical compound with molecular formula C20H19F3N4O and molecular weight 388.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenoxy]quinazoline
Also Known As: Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)-, 2-(4-Methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)quinazoline, 2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenoxy]quinazoline, 2-[4-Methyl-1-piperazinyl]-4-(3-trifluoromethylphenoxy)quinazoline, BRN 3633181
| Molecular Formula | C20H19F3N4O |
| Molecular Weight | 388.1511 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.1511 Da |
| Heavy Atoms | 28 |
| Complexity | 512.0 |
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC(=C4)C(F)(F)F |
| InChIKey | ACXMEEMMTOHVAT-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- has 0 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 Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- is 129112-41-0.
The molecular formula of Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- is C20H19F3N4O.
The molecular weight of Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- is 388.1511 g/mol.
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