TL;DR: N'~1~,N'~2~-bis[(2-nitrophenyl)carbonyl]ethanedihydrazide (CAS 110380-15-9) is a chemical compound with molecular formula C16H12N6O8 and molecular weight 416.07166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N',2-N'-bis(2-nitrobenzoyl)ethanedihydrazide
Also Known As: N'1,N'2-bis(2-nitrobenzoyl)oxalohydrazide, N1',N2'-bis(2-nitrobenzoyl)ethanedihydrazide, 1-N',2-N'-bis(2-nitrobenzoyl)ethanedihydrazide, AE-848/34541043, N'~1~,N'~2~-bis{2-nitrobenzoyl}ethanedihydrazide
| Molecular Formula | C16H12N6O8 |
| Molecular Weight | 416.07166 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 208.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.07166 Da |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NNC(=O)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UCGVQXRSPCRTAR-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'~1~,N'~2~-bis[(2-nitrophenyl)carbonyl]ethanedihydrazide. The TPSA of 208.0 Ų indicates high polarity, suggesting N'~1~,N'~2~-bis[(2-nitrophenyl)carbonyl]ethanedihydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N'~1~,N'~2~-bis[(2-nitrophenyl)carbonyl]ethanedihydrazide has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N'~1~,N'~2~-bis[(2-nitrophenyl)carbonyl]ethanedihydrazide is 110380-15-9.
The molecular formula of N'~1~,N'~2~-bis[(2-nitrophenyl)carbonyl]ethanedihydrazide is C16H12N6O8.
The molecular weight of N'~1~,N'~2~-bis[(2-nitrophenyl)carbonyl]ethanedihydrazide is 416.07166 g/mol.
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