TL;DR: alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride (CAS 108736-86-3) is a chemical compound with molecular formula C29H56ClNO and molecular weight 469.40503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(methylamino)-2-adamantyl]octadecan-2-ol;hydrochloride
Also Known As: alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride, 2-(Methylamino)-2-(2'-hydroxy-2'-n-hexadecyl)ethyltricyclo(3.3.1.1(sup 3,7))decane HCl, Tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, alpha-hexadecyl-2-(methylamino)-, hydrochloride, 1-[2-(methylamino)-2-adamantyl]octadecan-2-ol hydrochloride, 1-[2-(Methylamino)adamantan-2-yl]octadecan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C29H56ClNO |
| Molecular Weight | 469.40503 g/mol |
| XLogP | 8.4449 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 469.40503 Da |
| Heavy Atoms | 32 |
| Complexity | 447.0 |
| SMILES | CCCCCCCCCCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O.Cl |
| InChIKey | YTKMGAXZHISERA-UHFFFAOYSA-N |
The XLogP value of 8.4449 indicates that alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 108736-86-3.
The molecular formula of alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is C29H56ClNO.
The molecular weight of alpha-Hexadecyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 469.40503 g/mol.
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