TL;DR: (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one (CAS 799818-46-5) is a chemical compound with molecular formula C24H19BrN2O2 and molecular weight 446.063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
Also Known As: (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one, 6-bromo-2-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one, 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4(3H)-one, 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
| Molecular Formula | C24H19BrN2O2 |
| Molecular Weight | 446.063 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.063 Da |
| Heavy Atoms | 29 |
| Complexity | 641.0 |
| SMILES | CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)/C=C/C4=CC=C(C=C4)OC |
| InChIKey | LLCLDUYYTNCSRU-NTEUORMPSA-N |
The XLogP value of 5.2 indicates that (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one is 799818-46-5.
The molecular formula of (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one is C24H19BrN2O2.
The molecular weight of (E)-6-bromo-2-(4-methoxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one is 446.063 g/mol.
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