![2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione structure](/static/products/7142/714261-21-9.webp)
2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
TL;DR: 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione (CAS 714261-21-9) is a chemical compound with molecular formula C18H9BrN2O4 and molecular weight 395.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
Also Known As: 2-(4-bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione, 2-(4-bromophenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C18H9BrN2O4 |
|---|---|
| Molecular Weight | 395.97 g/mol |
| LogP | 4.3111 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.97458 |
| Heavy Atoms | 25 |
| Complexity | 1076.3763 |
Chemical Identifiers
| CAS Number | 714261-21-9 |
|---|---|
| SMILES | C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=C(C=C4)Br)[N+](=O)[O-] |
Product Overview
2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione (CAS 714261-21-9), with molecular formula C18H9BrN2O4 and molecular weight 395.97 g/mol. IUPAC: 2-(4-bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
Property Insights of 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
The XLogP value of 4.3111 indicates that 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione has 0 hydrogen bond donor(s) and 4 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 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
The CAS number of 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione is 714261-21-9.
What is the molecular formula of 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
The molecular formula of 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione is C18H9BrN2O4.
What is the molecular weight of 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
The molecular weight of 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione is 395.97 g/mol.
Where can I buy 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
You can request a quote for 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-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 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.