RefChem:324659
TL;DR: RefChem:324659 (CAS 105996-44-9) is a chemical compound with molecular formula C22H27Br2NO3 and molecular weight 511.03577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-2-oxoethyl]-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethylazanium bromide
Also Known As: Benzeneethanaminium, 4-bromo-N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-beta-oxo-, bromide, [2-(4-bromophenyl)-2-oxoethyl]-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethylazanium bromide, N-[2-(4-Bromophenyl)-2-oxoethyl]-2-hydroxy-N,N-dimethyl-3-[2-(prop-2-en-1-yl)phenoxy]propan-1-aminium bromide
Technical Specifications
| Molecular Formula | C22H27Br2NO3 |
| Molecular Weight | 511.03577 g/mol |
| XLogP | 0.8806 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 511.03577 Da |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
| SMILES | C[N+](C)(CC(COC1=CC=CC=C1CC=C)O)CC(=O)C2=CC=C(C=C2)Br.[Br-] |
| InChIKey | VNXJIZYCYMGERO-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:324659
Property Insights of RefChem:324659
The XLogP value of 0.8806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:324659. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:324659 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:324659 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:324659?
The CAS number of RefChem:324659 is 105996-44-9.
What is the molecular formula of RefChem:324659?
The molecular formula of RefChem:324659 is C22H27Br2NO3.
What is the molecular weight of RefChem:324659?
The molecular weight of RefChem:324659 is 511.03577 g/mol.
Where can I buy RefChem:324659?
You can request a quote for RefChem:324659 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:324659?
Yes, CoreyChem provides custom synthesis services for RefChem:324659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.