1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate
TL;DR: 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate (CAS 231285-89-5) is a chemical compound with molecular formula C6H3F4NO3S and molecular weight 244.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate
Also Known As: 1-fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate, N-Fluoro-6-(trifluoromethyl)pyridinium-2-sulphonate, N-FLUORO-6-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE, J2.129.660K, 1-fluoro-2-(trifluoromethyl)pyridine-6-sulfonate
| Molecular Formula | C6H3F4NO3S |
|---|---|
| Molecular Weight | 244.98 g/mol |
| LogP | 0.6296 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.97697 |
| Heavy Atoms | 15 |
| Complexity | 481.64066 |
Chemical Identifiers
| CAS Number | 231285-89-5 |
|---|---|
| SMILES | C1=CC(=[N+](C(=C1)S(=O)(=O)[O-])F)C(F)(F)F |
Product Overview
1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate (CAS 231285-89-5), with molecular formula C6H3F4NO3S and molecular weight 244.98 g/mol. IUPAC: 1-fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate.
Chemical Property Profile of 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate
Property Insights of 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate
The XLogP value of 0.6296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate. Following Lipinski's Rule of Five, 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate 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-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate?
The CAS number of 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate is 231285-89-5.
What is the molecular formula of 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate?
The molecular formula of 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate is C6H3F4NO3S.
What is the molecular weight of 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate?
The molecular weight of 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate is 244.98 g/mol.
Where can I buy 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate?
You can request a quote for 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-6-(trifluoromethyl)pyridin-1-ium-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.