1-(3-Sulphonatopropyl)quinolinium
TL;DR: 1-(3-Sulphonatopropyl)quinolinium (CAS 4727-51-9) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-quinolin-1-ium-1-ylpropane-1-sulfonate
Also Known As: 1- quinolinium, 1-(3-Sulphonatopropyl)quinolinium, 3-(quinolinium-1-yl)propane-1-sulfonate, 3-quinolin-1-ium-1-ylpropane-1-sulfonate, 1-(3-SULFONATOPROPYL)QUINOLINIUM
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 4727-51-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=[N+]2CCCS(=O)(=O)[O-] |
| InChIKey | CBTVLEZOOQHSOC-UHFFFAOYSA-N |
Product Overview
1-(3-Sulphonatopropyl)quinolinium (CAS 4727-51-9), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 3-quinolin-1-ium-1-ylpropane-1-sulfonate.
Chemical Property Profile of 1-(3-Sulphonatopropyl)quinolinium
Property Insights of 1-(3-Sulphonatopropyl)quinolinium
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Sulphonatopropyl)quinolinium. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Sulphonatopropyl)quinolinium. Following Lipinski's Rule of Five, 1-(3-Sulphonatopropyl)quinolinium 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-(3-Sulphonatopropyl)quinolinium?
The CAS number of 1-(3-Sulphonatopropyl)quinolinium is 4727-51-9.
What is the molecular formula of 1-(3-Sulphonatopropyl)quinolinium?
The molecular formula of 1-(3-Sulphonatopropyl)quinolinium is C12H13NO3S.
What is the molecular weight of 1-(3-Sulphonatopropyl)quinolinium?
The molecular weight of 1-(3-Sulphonatopropyl)quinolinium is 251.06 g/mol.
Where can I buy 1-(3-Sulphonatopropyl)quinolinium?
You can request a quote for 1-(3-Sulphonatopropyl)quinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Sulphonatopropyl)quinolinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Sulphonatopropyl)quinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.