TL;DR: 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone (CAS 300732-76-7) is a chemical compound with molecular formula C40H39NO and molecular weight 549.30316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone
Also Known As: BAS 00351120, 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone, 1-acetyl-2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-1,2,3,4-tetrahydroquinoline, 1-(2,2,4-trimethyl-4-(p-tolyl)-6-trityl-3,4-dihydroquinolin-1(2H)-yl)ethanone, 1-(2,2,4-Trimethyl-4-p-tolyl-6-trityl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
| Molecular Formula | C40H39NO |
| Molecular Weight | 549.30316 g/mol |
| XLogP | 9.7 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 549.30316 Da |
| Heavy Atoms | 42 |
| Complexity | 851.0 |
| SMILES | CC1=CC=C(C=C1)C2(CC(N(C3=C2C=C(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C)(C)C)C |
| InChIKey | FKYBYCUHACVQNI-UHFFFAOYSA-N |
The XLogP value of 9.7 indicates that 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone is 300732-76-7.
The molecular formula of 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone is C40H39NO.
The molecular weight of 1-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethanone is 549.30316 g/mol.
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