![1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium structure](/static/products/6238/62381-91-3.webp)
1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium
TL;DR: 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium (CAS 62381-91-3) is a chemical compound with molecular formula C13H10F3NO2S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium
Also Known As: 1-oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium, 2-(3-Trifluoromethyl-phenylmethanesulfinyl)-pyridine, 1-oxide, 1-Oxo-2-{[3-(trifluoromethyl)phenyl]methanesulfinyl}-1lambda~5~-pyridine, Pyridine, 2-[[[3-(trifluoromethyl)phenyl]methyl]sulfinyl]-, 1-oxide
| Molecular Formula | C13H10F3NO2S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.03842 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 62381-91-3 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)S(=O)CC2=CC(=CC=C2)C(F)(F)F)[O-] |
| InChIKey | RATYGBHLCXGUEX-UHFFFAOYSA-N |
Product Overview
1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium (CAS 62381-91-3), with molecular formula C13H10F3NO2S and molecular weight 301.04 g/mol. IUPAC: 1-oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium.
Chemical Property Profile of 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium
Property Insights of 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium. Following Lipinski's Rule of Five, 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium has 0 hydrogen bond donor(s) and 6 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-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium?
The CAS number of 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium is 62381-91-3.
What is the molecular formula of 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium?
The molecular formula of 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium is C13H10F3NO2S.
What is the molecular weight of 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium?
The molecular weight of 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium is 301.04 g/mol.
Where can I buy 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium?
You can request a quote for 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.