![6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/6783/67834-79-1.webp)
6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 67834-79-1) is a chemical compound with molecular formula C19H9F3N2O4 and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AN-979/15447051, 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 6-nitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C19H9F3N2O4 |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 4.5674 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.05145 |
| Heavy Atoms | 28 |
| Complexity | 1165.2526 |
Chemical Identifiers
| CAS Number | 67834-79-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C(F)(F)F |
Product Overview
6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 67834-79-1), with molecular formula C19H9F3N2O4 and molecular weight 386.05 g/mol. IUPAC: 6-nitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.5674 indicates that 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-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 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-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 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione is 67834-79-1.
What is the molecular formula of 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione is C19H9F3N2O4.
What is the molecular weight of 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione is 386.05 g/mol.
Where can I buy 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 6-nitro-2-[3-(trifluoromethyl)phenyl]-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-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.