TL;DR: 1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene (CAS 118509-95-8) is a chemical compound with molecular formula C10H10N2O6 and molecular weight 254.05388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene
Also Known As: (E)-4,5-dimethoxy-2,, KST-1B0884, 1,2-dimethoxy-4-nitro-5-(2-nitroethenyl)benzene, 2,beta-Dinitro-4,5-dimethoxystyrene, N-(2-Hydroxybenzylidenamino)-pyridiniumiodid
| Molecular Formula | C10H10N2O6 |
| Molecular Weight | 254.05388 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.05388 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| SMILES | COC1=C(C=C(C(=C1)/C=C/[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | LUCVJGSTUQBGFD-ONEGZZNKSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene. Following Lipinski's Rule of Five, 1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene has 0 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 1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene is 118509-95-8.
The molecular formula of 1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene is C10H10N2O6.
The molecular weight of 1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene is 254.05388 g/mol.
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