TL;DR: Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate (CAS 17438-14-1) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Maybridge4_001804, Nifedipine Impurity 50, Dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate, 3,5-Dimethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H15NO4 |
| Molecular Weight | 225.10011 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.10011 Da |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
| SMILES | CC1=C(CC(=C(N1)C)C(=O)OC)C(=O)OC |
| InChIKey | FKDYIXOYTANTSV-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate is 17438-14-1.
The molecular formula of Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate is C11H15NO4.
The molecular weight of Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate is 225.10011 g/mol.
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