TL;DR: 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine (CAS 102187-19-9) is a chemical compound with molecular formula C28H27N3O2 and molecular weight 437.21033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide
Also Known As: Indoaniline dye, 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine, 2-(1-Cyano-1-methylethyl)azocarboxamide, 4-((4-(Diethylamino)-2-methylphenyl)imino)-1-oxo-N-phenyl-1,4-dihydronaphthalene-2-carboxamide, 4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide
| Molecular Formula | C28H27N3O2 |
| Molecular Weight | 437.21033 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.21033 Da |
| Heavy Atoms | 33 |
| Complexity | 763.0 |
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC=C4)C |
| InChIKey | ZYKBEIDPRRYKKQ-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine. Following Lipinski's Rule of Five, 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine is 102187-19-9.
The molecular formula of 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine is C28H27N3O2.
The molecular weight of 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine is 437.21033 g/mol.
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