![6,7-Dinitro-benzo[de]isochromene-1,3-dione structure](/static/products/3833/38334-85-9.webp)
6,7-Dinitro-benzo[de]isochromene-1,3-dione
TL;DR: 6,7-Dinitro-benzo[de]isochromene-1,3-dione (CAS 38334-85-9) is a chemical compound with molecular formula C12H4N2O7 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,10-dinitro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Also Known As: 4,5-Dinitronaphthalic anhydride, 6,7-Dinitro-benzo[de]isochromene-1,3-dione, Naphthalic anhydride,5-dinitro, Naphthalic anhydride,5-dinitro-, 4,5-dinitro-1,8-naphthalic anhydride
| Molecular Formula | C12H4N2O7 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.00186 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 38334-85-9 |
|---|---|
| SMILES | C1=CC(=C2C(=CC=C3C2=C1C(=O)OC3=O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FQRCSJLFCQWWBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Dinitro-benzo[de]isochromene-1,3-dione (CAS 38334-85-9), with molecular formula C12H4N2O7 and molecular weight 288.00 g/mol. IUPAC: 8,10-dinitro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione.
Chemical Property Profile of 6,7-Dinitro-benzo[de]isochromene-1,3-dione
Property Insights of 6,7-Dinitro-benzo[de]isochromene-1,3-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dinitro-benzo[de]isochromene-1,3-dione. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dinitro-benzo[de]isochromene-1,3-dione. Following Lipinski's Rule of Five, 6,7-Dinitro-benzo[de]isochromene-1,3-dione has 0 hydrogen bond donor(s) and 7 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 6,7-Dinitro-benzo[de]isochromene-1,3-dione?
The CAS number of 6,7-Dinitro-benzo[de]isochromene-1,3-dione is 38334-85-9.
What is the molecular formula of 6,7-Dinitro-benzo[de]isochromene-1,3-dione?
The molecular formula of 6,7-Dinitro-benzo[de]isochromene-1,3-dione is C12H4N2O7.
What is the molecular weight of 6,7-Dinitro-benzo[de]isochromene-1,3-dione?
The molecular weight of 6,7-Dinitro-benzo[de]isochromene-1,3-dione is 288.00 g/mol.
Where can I buy 6,7-Dinitro-benzo[de]isochromene-1,3-dione?
You can request a quote for 6,7-Dinitro-benzo[de]isochromene-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 6,7-Dinitro-benzo[de]isochromene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dinitro-benzo[de]isochromene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.