TL;DR: (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide (CAS 157020-67-2) is a chemical compound with molecular formula C9H7N5O3 and molecular weight 233.05489 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E)-2-amino-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
Also Known As: (1E)-2-amino-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide, (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide, (E)-2-amino-N'-(3-nitrophenyl)-2-oxoacetohydrazonoyl cyanide
| Molecular Formula | C9H7N5O3 |
| Molecular Weight | 233.05489 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05489 Da |
| Heavy Atoms | 17 |
| Complexity | 391.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N/N=C(\C#N)/C(=O)N |
| InChIKey | FSUAHHLKQMWROC-MDWZMJQESA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide. Following Lipinski's Rule of Five, (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide has 2 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 (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide is 157020-67-2.
The molecular formula of (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide is C9H7N5O3.
The molecular weight of (2E)-2-cyano-2-[2-(3-nitrophenyl)hydrazinylidene]ethanamide is 233.05489 g/mol.
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