isoquinolinium, 2-(3-sulfopropyl)-, inner salt
TL;DR: isoquinolinium, 2-(3-sulfopropyl)-, inner salt (CAS 15589-64-7) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-isoquinolin-2-ium-2-ylpropane-1-sulfonate
Also Known As: Isoquinolinium, 2-(3-sulfopropyl)-, inner salt, 2-(3-Sulphopropyl)isoquinolinium hydroxide, 3-isoquinolin-2-ium-2-ylpropane-1-sulfonate, 2-(3-Sulfonatopropyl)isoquinolinium, N-3-Sulfopropylisoquinolinium betaine
Technical Specifications
| Molecular Formula | C12H13NO3S |
| Molecular Weight | 251.06161 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06161 Da |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CCCS(=O)(=O)[O-] |
| InChIKey | TZOTUGCLLXKSEG-UHFFFAOYSA-N |
Chemical Property Profile of isoquinolinium, 2-(3-sulfopropyl)-, inner salt
Property Insights of isoquinolinium, 2-(3-sulfopropyl)-, inner salt
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isoquinolinium, 2-(3-sulfopropyl)-, inner salt. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for isoquinolinium, 2-(3-sulfopropyl)-, inner salt. Following Lipinski's Rule of Five, isoquinolinium, 2-(3-sulfopropyl)-, 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
What is the CAS number of isoquinolinium, 2-(3-sulfopropyl)-, inner salt?
The CAS number of isoquinolinium, 2-(3-sulfopropyl)-, inner salt is 15589-64-7.
What is the molecular formula of isoquinolinium, 2-(3-sulfopropyl)-, inner salt?
The molecular formula of isoquinolinium, 2-(3-sulfopropyl)-, inner salt is C12H13NO3S.
What is the molecular weight of isoquinolinium, 2-(3-sulfopropyl)-, inner salt?
The molecular weight of isoquinolinium, 2-(3-sulfopropyl)-, inner salt is 251.06161 g/mol.
Where can I buy isoquinolinium, 2-(3-sulfopropyl)-, inner salt?
You can request a quote for isoquinolinium, 2-(3-sulfopropyl)-, inner salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for isoquinolinium, 2-(3-sulfopropyl)-, inner salt?
Yes, CoreyChem provides custom synthesis services for isoquinolinium, 2-(3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.