TL;DR: Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di- (CAS 36520-93-1) is a chemical compound with molecular formula C26H44N2O2 and molecular weight 416.34027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[3-[2-hydroxyethyl(methyl)amino]-1-adamantyl]-1-adamantyl]-methylamino]ethanol
Also Known As: 1-Methylpyrrolidine hydrochloride, 2,2'-(1,1'-Biadamantane-3,3'-diyl)bis(methylimino)diethanol, Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di-, 2-[[3-[3-[2-hydroxyethyl(methyl)amino]-1-adamantyl]-1-adamantyl]-methylamino]ethanol, 2,2'-[[1,1'-Bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diylbis(methylazanediyl)]di(ethan-1-ol)
| Molecular Formula | C26H44N2O2 |
| Molecular Weight | 416.34027 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.34027 Da |
| Heavy Atoms | 30 |
| Complexity | 607.0 |
| SMILES | CN(CCO)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)N(C)CCO |
| InChIKey | HFBVTKIGNOOOLK-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di- is 36520-93-1.
The molecular formula of Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di- is C26H44N2O2.
The molecular weight of Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di- is 416.34027 g/mol.
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