2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide
TL;DR: 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide (CAS 112169-51-4) is a chemical compound with molecular formula C22H25Br2NO2 and molecular weight 493.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-(2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethylazanium bromide
Also Known As: 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide, Benzenemethanaminium, 2-bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-, bromide, (2-bromophenyl)methyl-(2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethylazanium bromide, N-[(2-Bromophenyl)methyl]-2-hydroxy-N,N-dimethyl-3-[(naphthalen-2-yl)oxy]propan-1-aminium bromide, RefChem:324857
| Molecular Formula | C22H25Br2NO2 |
|---|---|
| Molecular Weight | 493.03 g/mol |
| LogP | 1.6226 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.0252 |
| Heavy Atoms | 27 |
| Complexity | 882.8256 |
Chemical Identifiers
| CAS Number | 112169-51-4 |
|---|---|
| SMILES | C[N+](C)(CC1=CC=CC=C1Br)CC(COC2=CC3=CC=CC=C3C=C2)O.[Br-] |
Product Overview
2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide (CAS 112169-51-4), with molecular formula C22H25Br2NO2 and molecular weight 493.03 g/mol. IUPAC: (2-bromophenyl)methyl-(2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethylazanium bromide.
Chemical Property Profile of 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide
Property Insights of 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide
The XLogP value of 1.6226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide. With a topological polar surface area (TPSA) of 29.46 Ų, 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide has 1 hydrogen bond donor(s) and 2 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 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide?
The CAS number of 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide is 112169-51-4.
What is the molecular formula of 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide?
The molecular formula of 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide is C22H25Br2NO2.
What is the molecular weight of 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide?
The molecular weight of 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide is 493.03 g/mol.
Where can I buy 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide?
You can request a quote for 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.