TL;DR: (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine (CAS 304864-77-5) is a chemical compound with molecular formula C12H9N7O2 and molecular weight 283.0818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(2-nitrophenyl)methylideneamino]-7H-purin-6-amine
Also Known As: (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine, AB00684493-01, 6-(2-(2-Nitrobenzylidene)hydrazineyl)-9H-purine, [(1E)-2-(2-nitrophenyl)-1-azavinyl]purin-6-ylamine, 6-[(E)-2-[(2-NITROPHENYL)METHYLIDENE]HYDRAZIN-1-YL]-9H-PURINE
| Molecular Formula | C12H9N7O2 |
| Molecular Weight | 283.0818 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0818 Da |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
| SMILES | C1=CC=C(C(=C1)/C=N/NC2=NC=NC3=C2NC=N3)[N+](=O)[O-] |
| InChIKey | WEGRUWAEOPZRQB-YAXRCOADSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine. Following Lipinski's Rule of Five, (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine is 304864-77-5.
The molecular formula of (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine is C12H9N7O2.
The molecular weight of (E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine is 283.0818 g/mol.
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