TL;DR: 8,8'-Paepalantine dimer (CAS 316173-54-3) is a chemical compound with molecular formula C32H26O12 and molecular weight 602.14246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(9,10-dihydroxy-5,7-dimethoxy-3-methyl-1-oxobenzo[g]isochromen-8-yl)-9,10-dihydroxy-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one
Also Known As: 8,8'-paepalantine dimer, 8-(9,10-dihydroxy-5,7-dimethoxy-3-methyl-1-oxobenzo[g]isochromen-8-yl)-9,10-dihydroxy-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one, 8-(9,10-dihydroxy-5,7-dimethoxy-3-methyl-1-oxobenzo(g)isochromen-8-yl)-9,10-dihydroxy-5,7-dimethoxy-3-methylbenzo(g)isochromen-1-one
| Molecular Formula | C32H26O12 |
| Molecular Weight | 602.14246 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 602.14246 Da |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
| SMILES | CC1=CC2=C(C3=CC(=C(C(=C3C(=C2C(=O)O1)O)O)C4=C(C=C5C(=C4O)C(=C6C(=C5OC)C=C(OC6=O)C)O)OC)OC)OC |
| InChIKey | ZFQBRSSPULXABF-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 8,8'-Paepalantine dimer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 8,8'-Paepalantine dimer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8,8'-Paepalantine dimer has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8,8'-Paepalantine dimer is 316173-54-3.
The molecular formula of 8,8'-Paepalantine dimer is C32H26O12.
The molecular weight of 8,8'-Paepalantine dimer is 602.14246 g/mol.
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