TL;DR: 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol (CAS 57377-42-1) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol
Also Known As: Obamegine, Obamegin, (+)-Obamegine, dimethoxy(dimethyl)[?]diol, 6,6'-dimethoxy-2,2'-dimethylberbaman-7,12-diol
| Molecular Formula | C36H38N2O6 |
| Molecular Weight | 594.273 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.273 Da |
| Heavy Atoms | 44 |
| Complexity | 948.0 |
| SMILES | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC |
| InChIKey | XGEAUXVPBXUBKN-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol. Following Lipinski's Rule of Five, 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol is 57377-42-1.
The molecular formula of 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol is C36H38N2O6.
The molecular weight of 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol is 594.273 g/mol.
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