TL;DR: ZK 91587 (CAS 84542-26-7) is a chemical compound with molecular formula C25H32O5 and molecular weight 412.22498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-18'-carboxylate
Also Known As: ZK 91587, SH-D515, 15beta, 16beta-Methylenemexrenone, 7alpha-Methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone, 3'H-Cyclopropa(15,16)pregna-4,15-diene-7,21-dicarboxylic acid, 15,16-dihydro-17-hydroxy-3-oxo-, gamma-lactone, methyl ester, (7alpha,15alpha,16alpha,17alpha)-
| Molecular Formula | C25H32O5 |
| Molecular Weight | 412.22498 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.22498 Da |
| Heavy Atoms | 30 |
| Complexity | 890.0 |
| SMILES | C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)C(=O)OC |
| InChIKey | YDIQJONNFLVNGD-FPMRONRSSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZK 91587. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ZK 91587. Following Lipinski's Rule of Five, ZK 91587 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ZK 91587 is 84542-26-7.
The molecular formula of ZK 91587 is C25H32O5.
The molecular weight of ZK 91587 is 412.22498 g/mol.
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