![6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione structure](/static/products/5282/52821-19-9.webp)
6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione
TL;DR: 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione (CAS 52821-19-9) is a chemical compound with molecular formula C12H4BrNO5 and molecular weight 320.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Also Known As: 6-bromo-5-nitrobenzo[de]isochromene-1,3-dione, 4-bromo-3-nitro-1,8-naphthalic anhydride, Naphthalic-1,8-anhydride, 4-bromo-3-nitro-, 3-nitro-4-bromo-1,8-naphthalic anhydride, J1.360.356A
| Molecular Formula | C12H4BrNO5 |
|---|---|
| Molecular Weight | 320.93 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.92728 |
| Heavy Atoms | 19 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 52821-19-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)OC(=O)C3=CC(=C2Br)[N+](=O)[O-] |
| InChIKey | BCPUJMYCXASRIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione (CAS 52821-19-9), with molecular formula C12H4BrNO5 and molecular weight 320.93 g/mol. IUPAC: 8-bromo-7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione.
Chemical Property Profile of 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione
Property Insights of 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione
The XLogP value of 3.1 indicates that 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione. Following Lipinski's Rule of Five, 6-Bromo-5-nitrobenzo[de]isochromene-1,3-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 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione?
The CAS number of 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione is 52821-19-9.
What is the molecular formula of 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione?
The molecular formula of 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione is C12H4BrNO5.
What is the molecular weight of 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione?
The molecular weight of 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione is 320.93 g/mol.
Where can I buy 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione?
You can request a quote for 6-Bromo-5-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-Bromo-5-nitrobenzo[de]isochromene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-5-nitrobenzo[de]isochromene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.