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6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 39061-35-3) is a chemical compound with molecular formula C12H6N2O4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitrobenzo[de]isoquinoline-1,3-dione
Also Known As: 4-nitro-1,8-naphthalic imide, 4-nitro-1,8-naphthalimide, 4-Nitro-1,8-naphthalenedicarbimide, 6-nitrobenzo[de]isoquinoline-1,3-dione, 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C12H6N2O4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.03276 |
| Heavy Atoms | 18 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 39061-35-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)[N+](=O)[O-] |
| InChIKey | IUMNWHADVMZBJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 39061-35-3), with molecular formula C12H6N2O4 and molecular weight 242.03 g/mol. IUPAC: 6-nitrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione has 1 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 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is 39061-35-3.
What is the molecular formula of 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is C12H6N2O4.
What is the molecular weight of 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is 242.03 g/mol.
Where can I buy 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 6-nitro-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-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.