TL;DR: Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate (CAS 57343-51-8) is a chemical compound with molecular formula C23H32BrNO3 and molecular weight 449.15656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl-[2-(3-hydroxy-3,3-diphenylpropanoyl)oxyethyl]azanium bromide
Also Known As: DPE-ethyl bromide, AMMONIUM, (2-HYDROXYETHYL)TRIETHYL-, BROMIDE, 3,3-DIPHENYL-3-HYDROXYPROPIONATE, triethyl-[2-(3-hydroxy-3,3-diphenylpropanoyl)oxyethyl]azanium bromide, Ethanaminium, N,N,N-triethyl-2-(3-hydroxy-1-oxo-3,3-diphenylpropoxy)-, bromide, N,N,N-Triethyl-2-[(3-hydroxy-3,3-diphenylpropanoyl)oxy]ethan-1-aminium bromide
| Molecular Formula | C23H32BrNO3 |
| Molecular Weight | 449.15656 g/mol |
| XLogP | 0.74 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 449.15656 Da |
| Heavy Atoms | 28 |
| Complexity | 409.0 |
| SMILES | CC[N+](CC)(CC)CCOC(=O)CC(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | OESCXTQBGMTOAB-UHFFFAOYSA-M |
The XLogP value of 0.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate. With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate 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, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate is 57343-51-8.
The molecular formula of Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate is C23H32BrNO3.
The molecular weight of Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate is 449.15656 g/mol.
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