1-Allyl-3-sulphonatopyridinium
TL;DR: 1-Allyl-3-sulphonatopyridinium (CAS 18164-94-8) is a chemical compound with molecular formula C8H9NO3S and molecular weight 199.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-prop-2-enylpyridin-1-ium-3-sulfonate
Also Known As: Sequirin C, 1-Allyl-3-sulphonatopyridinium, 1-allylpyridinium-3-sulfonate, 1-ALLYL-3-SULFONATOPYRIDINIUM, 1-prop-2-enylpyridin-1-ium-3-sulfonate
Technical Specifications
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.03032 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.03032 Da |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
| SMILES | C=CC[N+]1=CC=CC(=C1)S(=O)(=O)[O-] |
| InChIKey | JEMHLKILWWGOIT-UHFFFAOYSA-N |
Chemical Property Profile of 1-Allyl-3-sulphonatopyridinium
Property Insights of 1-Allyl-3-sulphonatopyridinium
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3-sulphonatopyridinium. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-3-sulphonatopyridinium. Following Lipinski's Rule of Five, 1-Allyl-3-sulphonatopyridinium 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 1-Allyl-3-sulphonatopyridinium?
The CAS number of 1-Allyl-3-sulphonatopyridinium is 18164-94-8.
What is the molecular formula of 1-Allyl-3-sulphonatopyridinium?
The molecular formula of 1-Allyl-3-sulphonatopyridinium is C8H9NO3S.
What is the molecular weight of 1-Allyl-3-sulphonatopyridinium?
The molecular weight of 1-Allyl-3-sulphonatopyridinium is 199.03032 g/mol.
Where can I buy 1-Allyl-3-sulphonatopyridinium?
You can request a quote for 1-Allyl-3-sulphonatopyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Allyl-3-sulphonatopyridinium?
Yes, CoreyChem provides custom synthesis services for 1-Allyl-3-sulphonatopyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.