![6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione structure](/static/products/1005/100540-68-9.webp)
6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione
TL;DR: 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione (CAS 100540-68-9) is a chemical compound with molecular formula C14H7NO6 and molecular weight 285.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetyl-10-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Also Known As: acetyl(nitro)[?]dione, 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione, 6-acetyl-7-nitro-1H,3H-benzo[de]isochromene-1,3-dione, 6-Acetyl-7-(hydroxy(oxido)amino)-1H,3H-benzo[de]isochromene-1,3-dione
| Molecular Formula | C14H7NO6 |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.02734 |
| Heavy Atoms | 21 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 100540-68-9 |
|---|---|
| SMILES | CC(=O)C1=C2C(=CC=C3C2=C(C=C1)C(=O)OC3=O)[N+](=O)[O-] |
| InChIKey | VOIWZGPLXATNJA-UHFFFAOYSA-N |
Product Overview
6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione (CAS 100540-68-9), with molecular formula C14H7NO6 and molecular weight 285.03 g/mol. IUPAC: 8-acetyl-10-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
Chemical Property Profile of 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione
Property Insights of 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione. Following Lipinski's Rule of Five, 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione has 0 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 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione?
The CAS number of 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione is 100540-68-9.
What is the molecular formula of 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione?
The molecular formula of 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione is C14H7NO6.
What is the molecular weight of 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione?
The molecular weight of 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione is 285.03 g/mol.
Where can I buy 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione?
You can request a quote for 6-Acetyl-7-nitrobenzo[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-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetyl-7-nitrobenzo[de]isochromene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.