TL;DR: 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide (CAS 126614-04-8) is a chemical compound with molecular formula C27H56INO3 and molecular weight 569.3305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-ethoxy-3-hexadecoxypropyl)-1-methylpiperidin-1-ium-4-ol iodide
Also Known As: Ether lipid analog(CP-20), p-methoxyphenyl benzenesulfonyl acetylene, 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide, Piperidinium, 1-(2-ethoxy-3-(hexadecyloxy)propyl)-4-hydroxy-1-methyl-, iodide, Piperidinium,1-[2-ethoxy-3-(hexadecyloxy)propyl]-4-hydroxy-1-methyl-, iodide (1:1)
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C27H56INO3 |
| Molecular Weight | 569.3305 g/mol |
| XLogP | 3.4947 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 569.3305 Da |
| Heavy Atoms | 32 |
| Complexity | 383.0 |
| SMILES | CCCCCCCCCCCCCCCCOCC(C[N+]1(CCC(CC1)O)C)OCC.[I-] |
| InChIKey | GQERKQKXWBAWOL-UHFFFAOYSA-M |
The XLogP value of 3.4947 indicates that 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide is 126614-04-8.
The molecular formula of 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide is C27H56INO3.
The molecular weight of 1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide is 569.3305 g/mol.
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