![5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid structure](/static/products/3182/318258-97-8.webp)
5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid
TL;DR: 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid (CAS 318258-97-8) is a chemical compound with molecular formula C20H10N2O8 and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzene-1,3-dicarboxylic acid
Also Known As: BIM-0010008.P001, 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid, 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1,3-dicarboxylic acid, 5-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzene-1,3-dicarboxylic acid, 5-[6-NITRO-1,3-DIOXO-1H-BENZO[DE]ISOQUINOLIN-2(3H)-YL]ISOPHTHALIC ACID
| Molecular Formula | C20H10N2O8 |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 2.945 |
| Topological Polar Surface Area | 155.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0437 |
| Heavy Atoms | 30 |
| Complexity | 1273.3762 |
Chemical Identifiers
| CAS Number | 318258-97-8 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid (CAS 318258-97-8), with molecular formula C20H10N2O8 and molecular weight 406.04 g/mol. IUPAC: 5-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid
Property Insights of 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid
The XLogP value of 2.945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid. The TPSA of 155.12 Ų indicates high polarity, suggesting 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid has 2 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 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid?
The CAS number of 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid is 318258-97-8.
What is the molecular formula of 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid?
The molecular formula of 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid is C20H10N2O8.
What is the molecular weight of 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid?
The molecular weight of 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid is 406.04 g/mol.
Where can I buy 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid?
You can request a quote for 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.