Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)
TL;DR: Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) (CAS 1605-77-2) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethylquinolin-1-ium;methyl sulfate
Also Known As: 1,2-Dimethylquinolinium methyl sulphate, Quinaldine compd. with dimethylsulfate, 1-Methylquinaldinium methosulfate, 1-methylquinaldinium methylsulfate, N,N-dibutylguanidine hydrochloride
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.06572 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 1605-77-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C=C1)C.COS(=O)(=O)[O-] |
| InChIKey | DYPVVNINWYTKOK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) (CAS 1605-77-2), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: 1,2-dimethylquinolin-1-ium;methyl sulfate.
Chemical Property Profile of Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)
Property Insights of Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)
The XLogP value of 1.06572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1). The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1). Following Lipinski's Rule of Five, Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) has 0 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 Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)?
The CAS number of Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) is 1605-77-2.
What is the molecular formula of Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)?
The molecular formula of Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) is C12H15NO4S.
What is the molecular weight of Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)?
The molecular weight of Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) is 269.07 g/mol.
Where can I buy Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)?
You can request a quote for Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.