6-Nitroisatin
TL;DR: 6-Nitroisatin (CAS 39007-57-3) is a chemical compound with molecular formula C8H4N2O4 and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1H-indole-2,3-dione
Also Known As: 6-Nitroisatin, 6-Nitroindoline-2,3-dione, 6-nitro-1h-indole-2,3-dione, 6-nitro-indoline-2,3-dione, 1H-Indole-2,3-dione, 6-nitro-
| Molecular Formula | C8H4N2O4 |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.0171 |
| Heavy Atoms | 14 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 39007-57-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C2=O |
| InChIKey | FQMOARKYYKXWRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitroisatin (CAS 39007-57-3), with molecular formula C8H4N2O4 and molecular weight 192.02 g/mol. IUPAC: 6-nitro-1H-indole-2,3-dione.
Chemical Property Profile of 6-Nitroisatin
Property Insights of 6-Nitroisatin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitroisatin. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitroisatin. Following Lipinski's Rule of Five, 6-Nitroisatin 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 6-Nitroisatin?
The CAS number of 6-Nitroisatin is 39007-57-3.
What is the molecular formula of 6-Nitroisatin?
The molecular formula of 6-Nitroisatin is C8H4N2O4.
What is the molecular weight of 6-Nitroisatin?
The molecular weight of 6-Nitroisatin is 192.02 g/mol.
Where can I buy 6-Nitroisatin?
You can request a quote for 6-Nitroisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitroisatin?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitroisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.