![3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione structure](/static/products/829/82972-62-1.png)
3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione
TL;DR: 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione (CAS 82972-62-1) is a chemical compound with molecular formula C13H7NO5 and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione
Also Known As: 3-methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione, 3-Methyl-2-nitronaphtho[2,3-b]furan-4,9-dione
| Molecular Formula | C13H7NO5 |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.0324 |
| Heavy Atoms | 19 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 82972-62-1 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
| InChIKey | DPEBRUZRUJUEKZ-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione (CAS 82972-62-1), with molecular formula C13H7NO5 and molecular weight 257.03 g/mol. IUPAC: 3-methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione.
Chemical Property Profile of 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione
Property Insights of 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione. Following Lipinski's Rule of Five, 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione has 0 hydrogen bond donor(s) and 5 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 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione?
The CAS number of 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione is 82972-62-1.
What is the molecular formula of 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione?
The molecular formula of 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione is C13H7NO5.
What is the molecular weight of 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione?
The molecular weight of 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione is 257.03 g/mol.
Where can I buy 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione?
You can request a quote for 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-nitrobenzo[f][1]benzofuran-4,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.