TL;DR: (-)-Michellamine B (CAS 143168-23-4) is a chemical compound with molecular formula C46H48N2O8 and molecular weight 756.34106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3S)-5-[3-[4-[(1S,3S)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Also Known As: Michellamine A, Michellamine B, Michellamine, (-)-Michellamine B, (-)-Michellamine A
| Molecular Formula | C46H48N2O8 |
| Molecular Weight | 756.34106 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 756.34106 Da |
| Heavy Atoms | 56 |
| Complexity | 1240.0 |
| SMILES | C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8C[C@@H](N[C@H](C8=C(C=C7O)O)C)C)O |
| InChIKey | GMLBVLXDRNJFGR-ZJZGAYNASA-N |
The XLogP value of 8.3 indicates that (-)-Michellamine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting (-)-Michellamine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (-)-Michellamine B has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (-)-Michellamine B is 143168-23-4.
The molecular formula of (-)-Michellamine B is C46H48N2O8.
The molecular weight of (-)-Michellamine B is 756.34106 g/mol.
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