TL;DR: 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide (CAS 159881-96-6) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-N-[(4-nitrophenyl)methylideneamino]furan-3-carboxamide
Also Known As: 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide, 2,5-dimethyl-N'-[(4-nitrophenyl)methylidene]furan-3-carbohydrazide, 2,5-dimethyl-N-[(4-nitrophenyl)methylideneamino]furan-3-carboxamide
| Molecular Formula | C14H13N3O4 |
| Molecular Weight | 287.0906 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0906 Da |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
| SMILES | CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KNKOMASVXMDLMF-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide. Following Lipinski's Rule of Five, 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide is 159881-96-6.
The molecular formula of 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide is C14H13N3O4.
The molecular weight of 2,5-Dimethyl-3-furancarboxylic acid 2-[(4-nitrophenyl)methylene]hydrazide is 287.0906 g/mol.
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