5-(Trifluoromethyl)isoindoline-1,3-dione
TL;DR: 5-(Trifluoromethyl)isoindoline-1,3-dione (CAS 20051-64-3) 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.
5-(trifluoromethyl)isoindole-1,3-dione
Also Known As: 5-(TRIFLUOROMETHYL)ISOINDOLINE-1,3-DIONE, 5-(trifluoromethyl)isoindole-1,3-dione, 5-(Trifluoromethyl)phthalimide, 5-trifluoromethyl-isoindole-1,3-dione, 5-TrifluoroMethylisoindole-1,3-dione
| Molecular Formula | C9H4F3NO2 |
|---|---|
| Molecular Weight | 215.02 g/mol |
| LogP | 2.0 |
| 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 | 20051-64-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)C(=O)NC2=O |
| InChIKey | HOZNTWKAAKPCPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Trifluoromethyl)isoindoline-1,3-dione (CAS 20051-64-3), with molecular formula C9H4F3NO2 and molecular weight 215.02 g/mol. IUPAC: 5-(trifluoromethyl)isoindole-1,3-dione.
Chemical Property Profile of 5-(Trifluoromethyl)isoindoline-1,3-dione
Property Insights of 5-(Trifluoromethyl)isoindoline-1,3-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Trifluoromethyl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 5-(Trifluoromethyl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)isoindoline-1,3-dione 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 5-(Trifluoromethyl)isoindoline-1,3-dione?
The CAS number of 5-(Trifluoromethyl)isoindoline-1,3-dione is 20051-64-3.
What is the molecular formula of 5-(Trifluoromethyl)isoindoline-1,3-dione?
The molecular formula of 5-(Trifluoromethyl)isoindoline-1,3-dione is C9H4F3NO2.
What is the molecular weight of 5-(Trifluoromethyl)isoindoline-1,3-dione?
The molecular weight of 5-(Trifluoromethyl)isoindoline-1,3-dione is 215.02 g/mol.
Where can I buy 5-(Trifluoromethyl)isoindoline-1,3-dione?
You can request a quote for 5-(Trifluoromethyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Trifluoromethyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Trifluoromethyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.