7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide
TL;DR: 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide (CAS 67465-22-9) is a chemical compound with molecular formula C13H15BrN2O2 and molecular weight 310.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylquinolin-1-ium-7-yl) N,N-dimethylcarbamate bromide
Also Known As: Ro 1-5735, 7-Hydroxy-1-methylquinolinium bromide dimethylcarbamate (ester), 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide, 7-[(Dimethylcarbamoyl)oxy]-1-methylquinolin-1-ium bromide, Quinolinium, 7-hydroxy-1-methyl-, bromide, dimethylcarbamate (ester)
| Molecular Formula | C13H15BrN2O2 |
|---|---|
| Molecular Weight | 310.03 g/mol |
| LogP | -1.2713 |
| Topological Polar Surface Area | 33.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.03168 |
| Heavy Atoms | 18 |
| Complexity | 569.91986 |
Chemical Identifiers
| CAS Number | 67465-22-9 |
|---|---|
| SMILES | C[N+]1=CC=CC2=C1C=C(C=C2)OC(=O)N(C)C.[Br-] |
Product Overview
7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide (CAS 67465-22-9), with molecular formula C13H15BrN2O2 and molecular weight 310.03 g/mol. IUPAC: (1-methylquinolin-1-ium-7-yl) N,N-dimethylcarbamate bromide.
Chemical Property Profile of 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide
Property Insights of 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide
The XLogP value of -1.2713 indicates that 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.42 Ų, 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide has 0 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 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide?
The CAS number of 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide is 67465-22-9.
What is the molecular formula of 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide?
The molecular formula of 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide is C13H15BrN2O2.
What is the molecular weight of 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide?
The molecular weight of 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide is 310.03 g/mol.
Where can I buy 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide?
You can request a quote for 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 7-((Dimethylcarbamoyl)oxy)-1-methylquinolin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.