TL;DR: (Adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine (CAS 10535-35-0) is a chemical compound with molecular formula C16H18N4O4 and molecular weight 330.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-adamantylideneamino)-2,4-dinitroaniline
Also Known As: Adamantane-2-one (2,4-dinitrophenyl)hydrazone, J1.454.061J, N-(2-adamantylideneamino)-2,4-dinitroaniline, (adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine, 1-(adamantan-2-ylidene)-2-(2,4-dinitrophenyl)hydrazine
| Molecular Formula | C16H18N4O4 |
| Molecular Weight | 330.1328 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.1328 Da |
| Heavy Atoms | 24 |
| Complexity | 537.0 |
| SMILES | C1C2CC3CC1CC(C2)C3=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MTNITEGBFVCMBZ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine. Following Lipinski's Rule of Five, (Adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine is 10535-35-0.
The molecular formula of (Adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine is C16H18N4O4.
The molecular weight of (Adamantan-2-ylideneazamethyl)(2,4-dinitrophenyl)amine is 330.1328 g/mol.
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