TL;DR: N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium (CAS 144108-31-6) is a chemical compound with molecular formula C33H59IN2O and molecular weight 626.3672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium iodide
Also Known As: Tmc-aea, N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium, Cholesteryl-3beta-carboxyamidoethylene-trimethylammonium iodide, N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium iodide, N,N,N-trimethyl-N/'-cholesteryl amidoethyl ammonium
| Molecular Formula | C33H59IN2O |
| Molecular Weight | 626.3672 g/mol |
| XLogP | 4.4704 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 626.3672 Da |
| Heavy Atoms | 37 |
| Complexity | 809.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)C(=O)NCC[N+](C)(C)C)C)C.[I-] |
| InChIKey | DHSXKGQVDZYBPG-MHCSTSKJSA-N |
The XLogP value of 4.4704 indicates that N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium is 144108-31-6.
The molecular formula of N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium is C33H59IN2O.
The molecular weight of N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium is 626.3672 g/mol.
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