TL;DR: 1,4-Dimethoxy-2-nitro-3-(2-nitroethenyl)benzene (CAS 143814-63-5) 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.
1,4-dimethoxy-2-nitro-3-(2-nitroethenyl)benzene
Also Known As: Maybridge1_006436, 1,4-dimethoxy-2-nitro-3-(2-nitroethenyl)benzene, 1,4-dimethoxy-2-nitro-3-[(E)-2-nitroethenyl]benzene
| 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)OC)[N+](=O)[O-])C=C[N+](=O)[O-] |
| InChIKey | PSBWJWZJTFUALX-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethoxy-2-nitro-3-(2-nitroethenyl)benzene. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethoxy-2-nitro-3-(2-nitroethenyl)benzene. Following Lipinski's Rule of Five, 1,4-Dimethoxy-2-nitro-3-(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 1,4-Dimethoxy-2-nitro-3-(2-nitroethenyl)benzene is 143814-63-5.
The molecular formula of 1,4-Dimethoxy-2-nitro-3-(2-nitroethenyl)benzene is C10H10N2O6.
The molecular weight of 1,4-Dimethoxy-2-nitro-3-(2-nitroethenyl)benzene is 254.05388 g/mol.
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