TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester (CAS 100507-52-6) is a chemical compound with molecular formula C25H25F2NO6 and molecular weight 473.165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester, Dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate, BRN 5666301
| Molecular Formula | C25H25F2NO6 |
| Molecular Weight | 473.165 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.165 Da |
| Heavy Atoms | 34 |
| Complexity | 778.0 |
| SMILES | CC1=C(C(C(=C(N1C2=CC=C(C=C2)OC)C)C(=O)OC)C3=CC=CC=C3OC(F)F)C(=O)OC |
| InChIKey | VILZDKHHODLYSX-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester has 0 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, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester is 100507-52-6.
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester is C25H25F2NO6.
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester is 473.165 g/mol.
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