TL;DR: ZK 159222 (CAS 156965-15-0) is a chemical compound with molecular formula C32H48O5 and molecular weight 512.35016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropane-1-carboxylate
Also Known As: ZK 159222, SID:53789870, butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropane-1-carboxylate, Cholecalciferol Impurity 21 (Vitamin D3 Impurity 21), (5Z,7E,22E)-(1S,3R,24R)-25-carbobutoxy-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
| Molecular Formula | C32H48O5 |
| Molecular Weight | 512.35016 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.35016 Da |
| Heavy Atoms | 37 |
| Complexity | 941.0 |
| SMILES | CCCCOC(=O)C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O |
| InChIKey | SPARTCPUGRJFRS-PBDCIXLPSA-N |
The XLogP value of 5.0 indicates that ZK 159222 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ZK 159222. Following Lipinski's Rule of Five, ZK 159222 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ZK 159222 is 156965-15-0.
The molecular formula of ZK 159222 is C32H48O5.
The molecular weight of ZK 159222 is 512.35016 g/mol.
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