TL;DR: Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 115951-92-3) is a chemical compound with molecular formula C19H20N2O6 and molecular weight 372.13214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2,6-dimethyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-, dimethyl ester, 1,4-Dihydro-4-[(E)-2-(2-nitrophenyl)ethenyl]-2,6-dimethylpyridine-3,5-dicarboxylic acid dimethyl ester, 3,5-dimethyl 2,6-dimethyl-4-[(1E)-2-(2-nitrophenyl)ethenyl]-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 2,6-dimethyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C19H20N2O6 |
| Molecular Weight | 372.13214 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.13214 Da |
| Heavy Atoms | 27 |
| Complexity | 678.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
| InChIKey | HVUKKIWIZNWOGB-MDZDMXLPSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate has 1 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 Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is 115951-92-3.
The molecular formula of Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is C19H20N2O6.
The molecular weight of Dimethyl 2,6-dimethyl-4-(2-(2-nitrophenyl)ethenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is 372.13214 g/mol.
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