TL;DR: forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride (CAS 110452-77-2) is a chemical compound with molecular formula C30H47NO8 and molecular weight 549.33014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-piperidin-1-ylpropanoate
Also Known As: forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride, [(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-piperidin-1-ylpropanoate
| Molecular Formula | C30H47NO8 |
| Molecular Weight | 549.33014 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.33014 Da |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
| SMILES | CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN4CCCCC4 |
| InChIKey | HRVAADIUTGRQCM-QAMJDCALSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride. Following Lipinski's Rule of Five, forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride is 110452-77-2.
The molecular formula of forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride is C30H47NO8.
The molecular weight of forskolin, 6beta-[beta'-(piperidino)propionyl]-, hydrochloride is 549.33014 g/mol.
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