1H-Indole-2,3-dione, 5,7-dinitro-
TL;DR: 1H-Indole-2,3-dione, 5,7-dinitro- (CAS 5453-79-2) is a chemical compound with molecular formula C8H3N3O6 and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dinitro-1H-indole-2,3-dione
Also Known As: 5,7-Dinitroisatin, Isatin, 5,7-dinitro-, 1H-Indole-2,3-dione, 5,7-dinitro-, 5,7-dinitroindoline-2,3-dione, 5,7-dinitro-1H-indole-2,3-dione
| Molecular Formula | C8H3N3O6 |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 0.6378 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.00218 |
| Heavy Atoms | 17 |
| Complexity | 593.16846 |
Chemical Identifiers
| CAS Number | 5453-79-2 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=O)C(=O)N2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1H-Indole-2,3-dione, 5,7-dinitro- (CAS 5453-79-2), with molecular formula C8H3N3O6 and molecular weight 237.00 g/mol. IUPAC: 5,7-dinitro-1H-indole-2,3-dione.
Chemical Property Profile of 1H-Indole-2,3-dione, 5,7-dinitro-
Property Insights of 1H-Indole-2,3-dione, 5,7-dinitro-
The XLogP value of 0.6378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-2,3-dione, 5,7-dinitro-. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-2,3-dione, 5,7-dinitro-. Following Lipinski's Rule of Five, 1H-Indole-2,3-dione, 5,7-dinitro- 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 1H-Indole-2,3-dione, 5,7-dinitro-?
The CAS number of 1H-Indole-2,3-dione, 5,7-dinitro- is 5453-79-2.
What is the molecular formula of 1H-Indole-2,3-dione, 5,7-dinitro-?
The molecular formula of 1H-Indole-2,3-dione, 5,7-dinitro- is C8H3N3O6.
What is the molecular weight of 1H-Indole-2,3-dione, 5,7-dinitro-?
The molecular weight of 1H-Indole-2,3-dione, 5,7-dinitro- is 237.00 g/mol.
Where can I buy 1H-Indole-2,3-dione, 5,7-dinitro-?
You can request a quote for 1H-Indole-2,3-dione, 5,7-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2,3-dione, 5,7-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2,3-dione, 5,7-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.