pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt
TL;DR: pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt (CAS 3918-73-8) is a chemical compound with molecular formula C8H11NO4S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-pyridin-1-ium-1-ylpropane-1-sulfonate
Also Known As: PPS-OH, 1-(2-Hydroxy-3-sulphonatopropyl)pyridinium, 2-Hydroxy-3-(pyridin-1-ium-1-yl)propane-1-sulfonate, 1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane, Pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt
| Molecular Formula | C8H11NO4S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.04088 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 3918-73-8 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC(CS(=O)(=O)[O-])O |
| InChIKey | RJPRZHQPROLZRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt (CAS 3918-73-8), with molecular formula C8H11NO4S and molecular weight 217.04 g/mol. IUPAC: 2-hydroxy-3-pyridin-1-ium-1-ylpropane-1-sulfonate.
Chemical Property Profile of pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt
Property Insights of pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt
The XLogP value of -0.9 indicates that pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt. Following Lipinski's Rule of Five, pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt has 1 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 pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt?
The CAS number of pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt is 3918-73-8.
What is the molecular formula of pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt?
The molecular formula of pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt is C8H11NO4S.
What is the molecular weight of pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt?
The molecular weight of pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt is 217.04 g/mol.
Where can I buy pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt?
You can request a quote for pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.