TL;DR: Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide (CAS 1027-93-6) is a chemical compound with molecular formula C15H24BrNO3 and molecular weight 345.09396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide
Also Known As: HC 1574, ((5-(Hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethylammonium bromide, AMMONIUM, ((5-(HYDROXYMETHYL)-2-PHENYL-m-DIOXAN-5-YL)METHYL)TRIMETHYL-, BROMIDE, [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium, [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazaniumbromide
| Molecular Formula | C15H24BrNO3 |
| Molecular Weight | 345.09396 g/mol |
| XLogP | -1.58 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.09396 Da |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
| SMILES | C[N+](C)(C)CC1(COC(OC1)C2=CC=CC=C2)CO.[Br-] |
| InChIKey | SMYPXRRNUNYQND-UHFFFAOYSA-M |
The XLogP value of -1.58 indicates that Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide is 1027-93-6.
The molecular formula of Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide is C15H24BrNO3.
The molecular weight of Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide is 345.09396 g/mol.
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