TL;DR: Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 110714-60-8) is a chemical compound with molecular formula C28H27NO6 and molecular weight 473.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, ethyl methyl ester, 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate, Ethyl methyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C28H27NO6 |
| Molecular Weight | 473.18384 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.18384 Da |
| Heavy Atoms | 35 |
| Complexity | 983.0 |
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4)C(=O)OC)C)C |
| InChIKey | QCGPDCMWVSEEGP-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate 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 Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 110714-60-8.
The molecular formula of Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate is C28H27NO6.
The molecular weight of Methyl ethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 473.18384 g/mol.
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