TL;DR: 2-[(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine (CAS 139613-38-0) is a chemical compound with molecular formula C10H13N5O5 and molecular weight 283.09167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine
Also Known As: N1-Hydroxy-N3[(3,4-dimethoxy-6-nitrobenzylidene)amino]guanidine, 2-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine, N''-[(4,5-Dimethoxy-2-nitrophenyl)methylidene]-N-hydroxycarbonohydrazonic diamide
| Molecular Formula | C10H13N5O5 |
| Molecular Weight | 283.09167 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.09167 Da |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| SMILES | COC1=C(C=C(C(=C1)C=NN=C(N)NO)[N+](=O)[O-])OC |
| InChIKey | IGMXRLVBSFUXRH-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-[(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine has 3 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 2-[(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine is 139613-38-0.
The molecular formula of 2-[(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine is C10H13N5O5.
The molecular weight of 2-[(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine is 283.09167 g/mol.
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