TL;DR: NK 252 (CAS 1414963-82-8) is a chemical compound with molecular formula C29H33N3O6 and molecular weight 519.23694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[(5-ethyl-2-pyridinyl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: NK 252, NCI60_017508, SID:522924660, bis[(5-ethylpyridin-2-yl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C29H33N3O6 |
| Molecular Weight | 519.23694 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 519.23694 Da |
| Heavy Atoms | 38 |
| Complexity | 896.0 |
| SMILES | CCC1=CN=C(C=C1)COC(=O)C2=C(NC(=C(C2C3=COCCO3)C(=O)OCC4=NC=C(C=C4)CC)C)C |
| InChIKey | YWKFGWNTDPFJIZ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that NK 252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NK 252. Following Lipinski's Rule of Five, NK 252 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of NK 252 is 1414963-82-8.
The molecular formula of NK 252 is C29H33N3O6.
The molecular weight of NK 252 is 519.23694 g/mol.
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