![6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/3305/330590-30-2.webp)
6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 330590-30-2) is a chemical compound with molecular formula C18H8N4O8 and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dinitro-2-(4-nitrophenyl)benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00320836, 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 6,7-dinitro-2-(4-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 6,7-dinitro-2-(4-nitrophenyl)benzo[de]isoquinoline-1,3-dione, A0715/0033396
| Molecular Formula | C18H8N4O8 |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 3.365 |
| Topological Polar Surface Area | 166.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0342 |
| Heavy Atoms | 30 |
| Complexity | 1247.2561 |
Chemical Identifiers
| CAS Number | 330590-30-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)[N+](=O)[O-] |
Product Overview
6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 330590-30-2), with molecular formula C18H8N4O8 and molecular weight 408.03 g/mol. IUPAC: 6,7-dinitro-2-(4-nitrophenyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.365 indicates that 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.8 Ų indicates high polarity, suggesting 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 8 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-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 330590-30-2.
What is the molecular formula of 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is C18H8N4O8.
What is the molecular weight of 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 408.03 g/mol.
Where can I buy 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-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-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,7-bisnitro-2-{4-nitrophenyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.