6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
TL;DR: 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one (CAS 6842-88-2) is a chemical compound with molecular formula C18H24BrN2O+ and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
Also Known As: 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one, 1-[(6-Bromo-2-methyl-4-oxo-1,4-dihydroquinolin-3-yl)methyl]-2-ethylpiperidin-1-ium
| Molecular Formula | C18H24BrN2O+ |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.94642 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1072 |
| Heavy Atoms | 22 |
| Complexity | 737.67993 |
Chemical Identifiers
| CAS Number | 6842-88-2 |
|---|---|
| SMILES | CCC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)Br)C |
Product Overview
6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one (CAS 6842-88-2), with molecular formula C18H24BrN2O+ and molecular weight 363.11 g/mol. IUPAC: 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one.
Chemical Property Profile of 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
Property Insights of 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
The XLogP value of 2.94642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one. With a topological polar surface area (TPSA) of 37.3 Ų, 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one has 2 hydrogen bond donor(s) and 1 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 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
The CAS number of 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one is 6842-88-2.
What is the molecular formula of 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
The molecular formula of 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one is C18H24BrN2O+.
What is the molecular weight of 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
The molecular weight of 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one is 363.11 g/mol.
Where can I buy 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
You can request a quote for 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.