![4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate structure](/static/products/3326/33263-48-8.webp)
4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate
TL;DR: 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate (CAS 33263-48-8) is a chemical compound with molecular formula C12H9F3N2O3S and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate
Also Known As: 4-[3-(trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate, 4-[3-(trifluoromethyl)anilino]pyridine-3-sulfonic acid, 4-[[3-(trifluoromethyl)phenyl]amino]-1H-pyridine-3-sulfonate
| Molecular Formula | C12H9F3N2O3S |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 2.1672 |
| Topological Polar Surface Area | 83.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0286 |
| Heavy Atoms | 21 |
| Complexity | 760.33813 |
Chemical Identifiers
| CAS Number | 33263-48-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=[NH+]C=C2)S(=O)(=O)[O-])C(F)(F)F |
Product Overview
4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate (CAS 33263-48-8), with molecular formula C12H9F3N2O3S and molecular weight 318.03 g/mol. IUPAC: 4-[3-(trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate.
Chemical Property Profile of 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate
Property Insights of 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate
The XLogP value of 2.1672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate. The TPSA of 83.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate. Following Lipinski's Rule of Five, 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate 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 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate?
The CAS number of 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate is 33263-48-8.
What is the molecular formula of 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate?
The molecular formula of 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate is C12H9F3N2O3S.
What is the molecular weight of 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate?
The molecular weight of 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate is 318.03 g/mol.
Where can I buy 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate?
You can request a quote for 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(Trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.