7-Trifluoromethylisatin
TL;DR: 7-Trifluoromethylisatin (CAS 391-12-8) is a chemical compound with molecular formula C9H4F3NO2 and molecular weight 215.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(trifluoromethyl)-1H-indole-2,3-dione
Also Known As: 7-Trifluoromethylisatin, 7-(Trifluoromethyl)isatin, 7-(Trifluoromethyl)indoline-2,3-dione, null, 7-(Trifluoromethyl)-1H-indole-2,3-dione
| Molecular Formula | C9H4F3NO2 |
|---|---|
| Molecular Weight | 215.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.01941 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 391-12-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O |
| InChIKey | MXLDJTXXAYVWDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Trifluoromethylisatin (CAS 391-12-8), with molecular formula C9H4F3NO2 and molecular weight 215.02 g/mol. IUPAC: 7-(trifluoromethyl)-1H-indole-2,3-dione.
Chemical Property Profile of 7-Trifluoromethylisatin
Property Insights of 7-Trifluoromethylisatin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Trifluoromethylisatin. With a topological polar surface area (TPSA) of 46.2 Ų, 7-Trifluoromethylisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Trifluoromethylisatin has 1 hydrogen bond donor(s) and 5 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 7-Trifluoromethylisatin?
The CAS number of 7-Trifluoromethylisatin is 391-12-8.
What is the molecular formula of 7-Trifluoromethylisatin?
The molecular formula of 7-Trifluoromethylisatin is C9H4F3NO2.
What is the molecular weight of 7-Trifluoromethylisatin?
The molecular weight of 7-Trifluoromethylisatin is 215.02 g/mol.
Where can I buy 7-Trifluoromethylisatin?
You can request a quote for 7-Trifluoromethylisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Trifluoromethylisatin?
Yes, KEHONG BIO provides custom synthesis services for 7-Trifluoromethylisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.