TL;DR: (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride (CAS 125455-88-1) is a chemical compound with molecular formula C22H24ClNO4 and molecular weight 401.13937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,8,9-tetramethoxy-6,11-dimethyl-11H-indeno[1,2-c]isoquinolin-6-ium chloride
Also Known As: (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride, (+-)-5,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride, 11H-Indeno(1,2-c)isoquinolinium, 6,11-dimethyl-2,3,8,9-tetramethoxy-, chloride, (+-)-, 2,3,8,9-tetramethoxy-6,11-dimethyl-11H-indeno[1,2-c]isoquinolin-6-ium chloride
| Molecular Formula | C22H24ClNO4 |
| Molecular Weight | 401.13937 g/mol |
| XLogP | 0.8349 |
| Topological Polar Surface Area (TPSA) | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.13937 Da |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
| SMILES | CC1C2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=[N+]3C)OC)OC)OC)OC.[Cl-] |
| InChIKey | CFYGXVNIGPVKIT-UHFFFAOYSA-M |
The XLogP value of 0.8349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride. With a topological polar surface area (TPSA) of 40.8 Ų, (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride 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 (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride is 125455-88-1.
The molecular formula of (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride is C22H24ClNO4.
The molecular weight of (+-)-6,11-Dimethyl-2,3,8,9-tetramethoxy-11H-indeno(1,2-c)isoquinolinium chloride is 401.13937 g/mol.
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