TL;DR: Kopsinine F (CAS 157695-36-8) is a chemical compound with molecular formula C24H28N2O7 and molecular weight 456.18964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 21-methylperoxycarbonyl-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-2-carboxylate
Also Known As: Kopsinine F, Aspidofractinine-1,3-dicarboxylic acid, 3-hydroxy-16,17-(methylenebis(oxy))-, dimethyl ester, (2alpha,3alpha,5alpha)-, methyl 5-[(methylperoxy)carbonyl]-2,3,4,5,12,13-hexahydro-1h,6h-3a,5a-ethano[1,3]dioxolo[4,5-a]indolizino[1,8-fg]carbazole-6(14ah)-carboxylate, 6H,14aH-3a,5a-Ethano-1H-[1,3]dioxolo[4,5-a]indolizino[1,8-fg]carbazole-5,6-dicarboxylicacid, 2,3,4,5,12,13-hexahydro-5-hydroxy-, 5,6-dimethyl ester,(3aR,5S,5aS,11bR,14aS)-, 6H,14aH-3a,5a-Ethano-1H-[1,3]dioxolo[4,5-a]indolizino[1,8-fg]carbazole-5,6-dicarboxylicacid,2,3,4,5,12,13-hexahydro-5-hydroxy-,5,6-dimethyl ester,(3aR,5S,5aS,11bR,14aS)
| Molecular Formula | C24H28N2O7 |
| Molecular Weight | 456.18964 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.18964 Da |
| Heavy Atoms | 33 |
| Complexity | 885.0 |
| SMILES | COC(=O)N1C2=C(C=CC3=C2OCO3)C45C16CCC7(C4N(CCC7)CC5)CC6C(=O)OOC |
| InChIKey | VZNKQKIVYCSTMY-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kopsinine F. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Kopsinine F. Following Lipinski's Rule of Five, Kopsinine F has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Kopsinine F is 157695-36-8.
The molecular formula of Kopsinine F is C24H28N2O7.
The molecular weight of Kopsinine F is 456.18964 g/mol.
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