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2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione
TL;DR: 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione (CAS 52411-10-6) is a chemical compound with molecular formula C12H7N3O4 and molecular weight 257.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-nitrobenzo[de]isoquinoline-1,3-dione
Also Known As: 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione, 2-amino-6-nitrobenzo[de]isoquinoline-1,3-dione, 2-amino-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-amino-8-nitro-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 1,3,5-Triazine,hexahydro-1,3,5-tris[(2-methylphenyl)sulfonyl]
| Molecular Formula | C12H7N3O4 |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.04367 |
| Heavy Atoms | 19 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 52411-10-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)N)[N+](=O)[O-] |
| InChIKey | KCHRHUZMJQITPX-UHFFFAOYSA-N |
Product Overview
2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione (CAS 52411-10-6), with molecular formula C12H7N3O4 and molecular weight 257.04 g/mol. IUPAC: 2-amino-6-nitrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione
Property Insights of 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione has 1 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 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione?
The CAS number of 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione is 52411-10-6.
What is the molecular formula of 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione?
The molecular formula of 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione is C12H7N3O4.
What is the molecular weight of 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione?
The molecular weight of 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione is 257.04 g/mol.
Where can I buy 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione?
You can request a quote for 2-amino-6-nitro-benzo[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-amino-6-nitro-benzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-6-nitro-benzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.