quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt
TL;DR: quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt (CAS 71205-44-2) is a chemical compound with molecular formula C14H17NO3S and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate
Also Known As: 2-Methyl-1-(4-sulfobutyl)quinolinium hydroxide, inner salt, 2-Methyl-1-(4-sulfonatobutyl)quinolinium, Quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt, 4-(2-methylquinolinium-1-yl)butane-1-sulfonate, 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate
| Molecular Formula | C14H17NO3S |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.09293 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 71205-44-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C=C1)CCCCS(=O)(=O)[O-] |
| InChIKey | JUWSQOREGFYALX-UHFFFAOYSA-N |
Product Overview
quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt (CAS 71205-44-2), with molecular formula C14H17NO3S and molecular weight 279.09 g/mol. IUPAC: 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate.
Chemical Property Profile of quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt
Property Insights of quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt. Following Lipinski's Rule of Five, quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt 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 quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt?
The CAS number of quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt is 71205-44-2.
What is the molecular formula of quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt?
The molecular formula of quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt is C14H17NO3S.
What is the molecular weight of quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt?
The molecular weight of quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt is 279.09 g/mol.
Where can I buy quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt?
You can request a quote for quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for quinolinium, 2-methyl-1-(4-sulfobutyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.