TL;DR: Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide (CAS 66473-27-6) is a chemical compound with molecular formula C9H15ClINO and molecular weight 314.98868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(chloromethyl)furan-2-yl]methyl-trimethylazanium iodide
Also Known As: 5-Chloromethylfurmethide, (5-Chloromethylfurfuryl)trimethylammonium iodide, AMMONIUM, (5-CHLOROMETHYLFURFURYL)TRIMETHYL-, IODIDE, [5-(chloromethyl)furan-2-yl]methyl-trimethylazanium iodide, [5-(Chloromethyl)furan-2-yl]-N,N,N-trimethylmethanaminium iodide
| Molecular Formula | C9H15ClINO |
| Molecular Weight | 314.98868 g/mol |
| XLogP | -0.77 |
| Topological Polar Surface Area (TPSA) | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.98868 Da |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
| SMILES | C[N+](C)(C)CC1=CC=C(O1)CCl.[I-] |
| InChIKey | HOFDTGFELNBNDS-UHFFFAOYSA-M |
The XLogP value of -0.77 indicates that Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.1 Ų, Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide is 66473-27-6.
The molecular formula of Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide is C9H15ClINO.
The molecular weight of Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide is 314.98868 g/mol.
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