TL;DR: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- (CAS 114439-81-5) is a chemical compound with molecular formula C31H26N2O5 and molecular weight 506.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(3,4-dimethoxyphenyl)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-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-, 3-[4-[(3,4-dimethoxyphenyl)methylideneamino]benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
| Molecular Formula | C31H26N2O5 |
| Molecular Weight | 506.18417 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.18417 Da |
| Heavy Atoms | 38 |
| Complexity | 832.0 |
| 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)OC |
| InChIKey | GQQPTHILJFHBRJ-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- has 0 hydrogen bond donor(s) and 6 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-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is 114439-81-5.
The molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is C31H26N2O5.
The molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is 506.18417 g/mol.
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