TL;DR: 2-{[(3,4-Dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol (CAS 352664-25-6) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
Also Known As: 2-{[(3,4-dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol, 2-[(3,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol, (6E)-6-[(3,4-dimethylanilino)methylidene]-2-methyl-4-nitrocyclohexa-2,4-dien-1-one, (6Z)-6-[(3,4-dimethylanilino)methylidene]-2-methyl-4-nitrocyclohexa-2,4-dien-1-one, 6-[(3,4-dimethylanilino)methylidene]-2-methyl-4-nitrocyclohexa-2,4-dien-1-one
| Molecular Formula | C16H16N2O3 |
| Molecular Weight | 284.1161 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.1161 Da |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
| SMILES | CC1=C(C=C(C=C1)N=CC2=C(C(=CC(=C2)[N+](=O)[O-])C)O)C |
| InChIKey | BAOJBIZUCHPLAK-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2-{[(3,4-Dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3,4-Dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol. Following Lipinski's Rule of Five, 2-{[(3,4-Dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol has 1 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 2-{[(3,4-Dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol is 352664-25-6.
The molecular formula of 2-{[(3,4-Dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol is C16H16N2O3.
The molecular weight of 2-{[(3,4-Dimethylphenyl)imino]methyl}-4-nitro-6-methylphenol is 284.1161 g/mol.
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