4-Aminophenyl trifluoromethyl sulphone
TL;DR: 4-Aminophenyl trifluoromethyl sulphone (CAS 473-27-8) is a chemical compound with molecular formula C7H6F3NO2S and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethylsulfonyl)aniline
Also Known As: 4-(Trifluoromethylsulfonyl)aniline, 4-((Trifluoromethyl)sulfonyl)aniline, 4-Triflylaniline, 4-Aminophenyl trifluoromethyl sulphone, 4-trifluoromethanesulfonylaniline
| Molecular Formula | C7H6F3NO2S |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.00714 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 473-27-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F |
| InChIKey | GNVFCXUZQGCXPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenyl trifluoromethyl sulphone (CAS 473-27-8), with molecular formula C7H6F3NO2S and molecular weight 225.01 g/mol. IUPAC: 4-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of 4-Aminophenyl trifluoromethyl sulphone
Property Insights of 4-Aminophenyl trifluoromethyl sulphone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminophenyl trifluoromethyl sulphone. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminophenyl trifluoromethyl sulphone. Following Lipinski's Rule of Five, 4-Aminophenyl trifluoromethyl sulphone has 1 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 4-Aminophenyl trifluoromethyl sulphone?
The CAS number of 4-Aminophenyl trifluoromethyl sulphone is 473-27-8.
What is the molecular formula of 4-Aminophenyl trifluoromethyl sulphone?
The molecular formula of 4-Aminophenyl trifluoromethyl sulphone is C7H6F3NO2S.
What is the molecular weight of 4-Aminophenyl trifluoromethyl sulphone?
The molecular weight of 4-Aminophenyl trifluoromethyl sulphone is 225.01 g/mol.
Where can I buy 4-Aminophenyl trifluoromethyl sulphone?
You can request a quote for 4-Aminophenyl trifluoromethyl sulphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminophenyl trifluoromethyl sulphone?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenyl trifluoromethyl sulphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.