Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-
TL;DR: Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- (CAS 105892-05-5) is a chemical compound with molecular formula C19H23Br2ClN2O2 and molecular weight 503.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl]-[3-(2-chloroanilino)-2-hydroxypropyl]-dimethylazanium bromide
Also Known As: Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-, [2-(4-bromophenyl)-2-oxoethyl]-[3-(2-chloroanilino)-2-hydroxypropyl]-dimethylazanium bromide, 1-(4-bromophenyl)-2-({3-[(2-chlorophenyl)amino]-2-hydroxypropyl}dimethylamino) ethan-1-one, bromide, N-[2-(4-Bromophenyl)-2-oxoethyl]-3-(2-chloroanilino)-2-hydroxy-N,N-dimethylpropan-1-aminium bromide, RefChem:324660
| Molecular Formula | C19H23Br2ClN2O2 |
|---|---|
| Molecular Weight | 503.98 g/mol |
| LogP | 0.8386 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.98148 |
| Heavy Atoms | 26 |
| Complexity | 723.734 |
Chemical Identifiers
| CAS Number | 105892-05-5 |
|---|---|
| SMILES | C[N+](C)(CC(CNC1=CC=CC=C1Cl)O)CC(=O)C2=CC=C(C=C2)Br.[Br-] |
Product Overview
Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- (CAS 105892-05-5), with molecular formula C19H23Br2ClN2O2 and molecular weight 503.98 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl]-[3-(2-chloroanilino)-2-hydroxypropyl]-dimethylazanium bromide.
Chemical Property Profile of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-
Property Insights of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-
The XLogP value of 0.8386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-. With a topological polar surface area (TPSA) of 49.33 Ų, Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-?
The CAS number of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- is 105892-05-5.
What is the molecular formula of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-?
The molecular formula of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- is C19H23Br2ClN2O2.
What is the molecular weight of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-?
The molecular weight of Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- is 503.98 g/mol.
Where can I buy Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-?
You can request a quote for Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanaminium, 4-bromo-N-(3-((2-chlorophenyl)amino)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.