TL;DR: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- (CAS 114439-80-4) is a chemical compound with molecular formula C30H24N2O4 and molecular weight 476.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(4-methoxyphenyl)methylideneamino]benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Also Known As: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-, 3-[4-[(4-methoxyphenyl)methylideneamino]benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
| Molecular Formula | C30H24N2O4 |
| Molecular Weight | 476.1736 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.1736 Da |
| Heavy Atoms | 36 |
| Complexity | 776.0 |
| SMILES | CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)N=CC5=CC=C(C=C5)OC |
| InChIKey | AYYQAUUFMCPAEM-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is 114439-80-4.
The molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is C30H24N2O4.
The molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((4-methoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is 476.1736 g/mol.
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