1-Ethyl-2-sulphonatoquinolinium
TL;DR: 1-Ethyl-2-sulphonatoquinolinium (CAS 4329-91-3) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylquinolin-1-ium-2-sulfonate
Also Known As: 1-Ethyl-2-sulphonatoquinolinium, 1-ethylquinolin-1-ium-2-sulfonate, 1-ethylquinolinium-2-sulfonate, 1-Ethyl-2-sulfonatoquinolinium, Quinolinium, 1-ethyl-2-sulfo-, inner salt
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 4329-91-3 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)S(=O)(=O)[O-] |
| InChIKey | VDLUATXFGISGEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-2-sulphonatoquinolinium (CAS 4329-91-3), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: 1-ethylquinolin-1-ium-2-sulfonate.
Chemical Property Profile of 1-Ethyl-2-sulphonatoquinolinium
Property Insights of 1-Ethyl-2-sulphonatoquinolinium
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-2-sulphonatoquinolinium. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-2-sulphonatoquinolinium. Following Lipinski's Rule of Five, 1-Ethyl-2-sulphonatoquinolinium has 0 hydrogen bond donor(s) and 3 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 1-Ethyl-2-sulphonatoquinolinium?
The CAS number of 1-Ethyl-2-sulphonatoquinolinium is 4329-91-3.
What is the molecular formula of 1-Ethyl-2-sulphonatoquinolinium?
The molecular formula of 1-Ethyl-2-sulphonatoquinolinium is C11H11NO3S.
What is the molecular weight of 1-Ethyl-2-sulphonatoquinolinium?
The molecular weight of 1-Ethyl-2-sulphonatoquinolinium is 237.05 g/mol.
Where can I buy 1-Ethyl-2-sulphonatoquinolinium?
You can request a quote for 1-Ethyl-2-sulphonatoquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2-sulphonatoquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2-sulphonatoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.