![4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid structure](/static/products/3053/305359-75-5.webp)
4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid
TL;DR: 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid (CAS 305359-75-5) is a chemical compound with molecular formula C20H12N2O6 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid
Also Known As: BAS 04380206, 4-[(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid, 4-((6-Nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)benzoic acid, 4-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-ylmethyl)-benzoic acid, 4-[(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]benzoic acid
| Molecular Formula | C20H12N2O6 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 3.2424 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.06955 |
| Heavy Atoms | 28 |
| Complexity | 1161.0203 |
Chemical Identifiers
| CAS Number | 305359-75-5 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid (CAS 305359-75-5), with molecular formula C20H12N2O6 and molecular weight 376.07 g/mol. IUPAC: 4-[(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid
Property Insights of 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid
The XLogP value of 3.2424 indicates that 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid 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 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid?
The CAS number of 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid is 305359-75-5.
What is the molecular formula of 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid?
The molecular formula of 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid is C20H12N2O6.
What is the molecular weight of 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid?
The molecular weight of 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid is 376.07 g/mol.
Where can I buy 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid?
You can request a quote for 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.