TL;DR: 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)- (CAS 27866-08-6) is a chemical compound with molecular formula C22H41NO2 and molecular weight 351.31372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantylmethoxy)-3-[di(butan-2-yl)amino]propan-2-ol
Also Known As: 1-(1-Adamantylmethoxy)-3-(di-2-butylamino)-2-propanol, 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)-, 2-Propanol, 1-(bis(1-methylpropyl)amino)-3-(tricyclo(3.3.1.13,7)dec-1-ylmethoxy)-, 1-(1-adamantylmethoxy)-3-[di(butan-2-yl)amino]propan-2-ol, 1-[(Adamantan-1-yl)methoxy]-3-[di(butan-2-yl)amino]propan-2-ol
| Molecular Formula | C22H41NO2 |
| Molecular Weight | 351.31372 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 351.31372 Da |
| Heavy Atoms | 25 |
| Complexity | 373.0 |
| SMILES | CCC(C)N(CC(COCC12CC3CC(C1)CC(C3)C2)O)C(C)CC |
| InChIKey | HFDZAMYXLQSMOA-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)- is 27866-08-6.
The molecular formula of 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)- is C22H41NO2.
The molecular weight of 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)- is 351.31372 g/mol.
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