Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide
TL;DR: Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide (CAS 106008-05-3) is a chemical compound with molecular formula C18H23Br2NO4 and molecular weight 475.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl]-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-dimethylazanium bromide
Also Known As: Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide, [2-(4-bromophenyl)-2-oxo-ethyl]-[3-(2-furylmethoxy)-2-hydroxy-propyl]-dimethyl-azanium Bromide, [2-(4-bromophenyl)-2-oxoethyl]-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-dimethylazanium bromide, 1-(4-bromophenyl)-2-{[3-(2-furylmethoxy)-2-hydroxypropyl]dimethylamino}ethan-1 -one, bromide, N-[2-(4-Bromophenyl)-2-oxoethyl]-3-[(furan-2-yl)methoxy]-2-hydroxy-N,N-dimethylpropan-1-aminium bromide
| Molecular Formula | C18H23Br2NO4 |
|---|---|
| Molecular Weight | 475.00 g/mol |
| LogP | -0.1171 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.9994 |
| Heavy Atoms | 25 |
| Complexity | 641.60547 |
Chemical Identifiers
| CAS Number | 106008-05-3 |
|---|---|
| SMILES | C[N+](C)(CC(COCC1=CC=CO1)O)CC(=O)C2=CC=C(C=C2)Br.[Br-] |
Product Overview
Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide (CAS 106008-05-3), with molecular formula C18H23Br2NO4 and molecular weight 475.00 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl]-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-dimethylazanium bromide.
Chemical Property Profile of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide
Property Insights of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide
The XLogP value of -0.1171 indicates that Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.67 Ų, Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-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-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,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
Frequently Asked Questions
What is the CAS number of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide?
The CAS number of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide is 106008-05-3.
What is the molecular formula of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide?
The molecular formula of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide is C18H23Br2NO4.
What is the molecular weight of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide?
The molecular weight of Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide is 475.00 g/mol.
Where can I buy Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide?
You can request a quote for Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-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-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.