4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide
TL;DR: 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide (CAS 105996-48-3) is a chemical compound with molecular formula C17H27Br2NO3 and molecular weight 451.03577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-2-oxoethyl]-(3-butoxy-2-hydroxypropyl)-dimethylazanium bromide
Also Known As: 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide, Benzeneethanaminium, 4-bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, [2-(4-bromophenyl)-2-oxoethyl]-(3-butoxy-2-hydroxypropyl)-dimethylazanium bromide, N-[2-(4-Bromophenyl)-2-oxoethyl]-3-butoxy-2-hydroxy-N,N-dimethylpropan-1-aminium bromide
Technical Specifications
| Molecular Formula | C17H27Br2NO3 |
| Molecular Weight | 451.03577 g/mol |
| XLogP | -0.1102 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.03577 Da |
| Heavy Atoms | 23 |
| Complexity | 328.0 |
| SMILES | CCCCOCC(C[N+](C)(C)CC(=O)C1=CC=C(C=C1)Br)O.[Br-] |
| InChIKey | QGTCIGWSUADFCO-UHFFFAOYSA-M |
Chemical Property Profile of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide
Property Insights of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide
The XLogP value of -0.1102 indicates that 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide?
The CAS number of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide is 105996-48-3.
What is the molecular formula of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide?
The molecular formula of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide is C17H27Br2NO3.
What is the molecular weight of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide?
The molecular weight of 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide is 451.03577 g/mol.
Where can I buy 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide?
You can request a quote for 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.