7-Fluoroisatin
TL;DR: 7-Fluoroisatin (CAS 31970-06-6) is a chemical compound with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-1H-indole-2,3-dione
Also Known As: 7-Fluoroisatin, 7-fluoroindoline-2,3-dione, 7-Fluoro-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 7-fluoro-, 7- Fluoroisatin
| Molecular Formula | C8H4FNO2 |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.02261 |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 31970-06-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)F)NC(=O)C2=O |
| InChIKey | HGBGVEOXPHGSOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Fluoroisatin (CAS 31970-06-6), with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol. IUPAC: 7-fluoro-1H-indole-2,3-dione.
Chemical Property Profile of 7-Fluoroisatin
Property Insights of 7-Fluoroisatin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Fluoroisatin. With a topological polar surface area (TPSA) of 46.2 Ų, 7-Fluoroisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Fluoroisatin has 1 hydrogen bond donor(s) and 3 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-Fluoroisatin?
The CAS number of 7-Fluoroisatin is 31970-06-6.
What is the molecular formula of 7-Fluoroisatin?
The molecular formula of 7-Fluoroisatin is C8H4FNO2.
What is the molecular weight of 7-Fluoroisatin?
The molecular weight of 7-Fluoroisatin is 165.02 g/mol.
Where can I buy 7-Fluoroisatin?
You can request a quote for 7-Fluoroisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Fluoroisatin?
Yes, KEHONG BIO provides custom synthesis services for 7-Fluoroisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.