TL;DR: 3-(4-Methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 114439-73-5) is a chemical compound with molecular formula C23H19NO4 and molecular weight 373.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxybenzoyl)-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Also Known As: 2,3-Dihydro-3-(4-methoxybenzoyl)-2-(4-methylphenyl)-4H-1,3-benzoxazin-4-one, 3-(4-methoxybenzoyl)-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one, 3-(4-methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4h-1,3-benzoxazin-4-one, 4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-3-(4-METHOXYBENZOYL)-2-(4-METHYLPHENYL)-
| Molecular Formula | C23H19NO4 |
| Molecular Weight | 373.1314 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.1314 Da |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
| SMILES | CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)OC |
| InChIKey | KKOKBFATFMXJNC-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 3-(4-Methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(4-Methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 114439-73-5.
The molecular formula of 3-(4-Methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is C23H19NO4.
The molecular weight of 3-(4-Methoxybenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 373.1314 g/mol.
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