TL;DR: N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline (CAS 152477-96-8) is a chemical compound with molecular formula C15H14N4O4 and molecular weight 314.1015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline
Also Known As: 2,5-Dimethylbenzaldehyde-2,4-DNPH, 2,5-DIMETHYLBENZALDEHYDE (DNPH DERIVATIVE), 1-(2,5-dimethylbenzylidene)-2-(2,4-dinitrophenyl)hydrazine, N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline
| Molecular Formula | C15H14N4O4 |
| Molecular Weight | 314.1015 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1015 Da |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
| SMILES | CC1=CC(=C(C=C1)C)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GYDQEABEWIRZLY-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline 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 N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline is 152477-96-8.
The molecular formula of N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline is C15H14N4O4.
The molecular weight of N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline is 314.1015 g/mol.
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