![4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione structure](/static/products/535/53555-12-7.png)
4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione
TL;DR: 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione (CAS 53555-12-7) is a chemical compound with molecular formula C14H7N3O6 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(3-nitrophenyl)isoindole-1,3-dione
Also Known As: BAS 00084754, 4-nitro-2-(3-nitrophenyl)isoindole-1,3-dione, 4-Nitro-2-(3-nitro-phenyl)-isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione,4-nitro-2-(3-nitrophenyl)-, 4-nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione
| Molecular Formula | C14H7N3O6 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 2.3036 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.03348 |
| Heavy Atoms | 23 |
| Complexity | 891.83136 |
Chemical Identifiers
| CAS Number | 53555-12-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
Product Overview
4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione (CAS 53555-12-7), with molecular formula C14H7N3O6 and molecular weight 313.03 g/mol. IUPAC: 4-nitro-2-(3-nitrophenyl)isoindole-1,3-dione.
Chemical Property Profile of 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione
Property Insights of 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione
The XLogP value of 2.3036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione. Following Lipinski's Rule of Five, 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione has 0 hydrogen bond donor(s) and 6 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 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione?
The CAS number of 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione is 53555-12-7.
What is the molecular formula of 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione?
The molecular formula of 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione is C14H7N3O6.
What is the molecular weight of 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione?
The molecular weight of 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione is 313.03 g/mol.
Where can I buy 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione?
You can request a quote for 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-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 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-(3-nitrophenyl)benzo[c]azoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.