TL;DR: 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester (CAS 121497-12-9) is a chemical compound with molecular formula C28H27ClN2O7 and molecular weight 538.1507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4-[2-chloro-6-(4-methoxycarbonyl-2,5-dimethylfuran-3-yl)quinolin-3-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester, 3,5-Pyridinedicarboxylicacid,4-[2-chloro-6-[4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl]-3-quinolinyl]-1,4-dihydro-2,6-dimethyl-,3,5-dimethyl ester, dimethyl 4-[2-chloro-6-(4-methoxycarbonyl-2,5-dimethylfuran-3-yl)quinolin-3-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Dimethyl 4-[2-chloro-6-[4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl]-3-quinolinyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, 4-[2-chloro-6-[4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl]-3-quinolinyl]-1,4-dihydro-2,6-dimethyl-, 3,5-dimethyl ester
| Molecular Formula | C28H27ClN2O7 |
| Molecular Weight | 538.1507 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.1507 Da |
| Heavy Atoms | 38 |
| Complexity | 989.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(N=C3C=CC(=CC3=C2)C4=C(OC(=C4C(=O)OC)C)C)Cl)C(=O)OC |
| InChIKey | YNOHXMCFGACTGL-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester is 121497-12-9.
The molecular formula of 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester is C28H27ClN2O7.
The molecular weight of 3,5-Pyridinedicarboxylic acid, 4-(2-chloro-6-(4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl)-3-quinolinyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester is 538.1507 g/mol.
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