![3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid structure](/static/products/3053/305358-87-6.webp)
3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid
TL;DR: 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid (CAS 305358-87-6) is a chemical compound with molecular formula C26H15N3O7 and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoyl]amino]benzoic acid
Also Known As: 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid, 3-[[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoyl]amino]benzoic acid, 3-{[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoyl]amino}benzoic acid, 3-({[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]carbonyl}amino)benzoic acid, 3-(3-{10-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,(1)(3)]trideca-1(13),5,7,9,11-pentaen-3-yl}benzamido)benzoic acid
| Molecular Formula | C26H15N3O7 |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 4.4991 |
| Topological Polar Surface Area | 146.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.091 |
| Heavy Atoms | 36 |
| Complexity | 1621.9229 |
Chemical Identifiers
| CAS Number | 305358-87-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O)C(=O)O |
Product Overview
3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid (CAS 305358-87-6), with molecular formula C26H15N3O7 and molecular weight 481.09 g/mol. IUPAC: 3-[[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoyl]amino]benzoic acid.
Chemical Property Profile of 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid
Property Insights of 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid
The XLogP value of 4.4991 indicates that 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.92 Ų indicates high polarity, suggesting 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic 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 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid?
The CAS number of 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid is 305358-87-6.
What is the molecular formula of 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid?
The molecular formula of 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid is C26H15N3O7.
What is the molecular weight of 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid?
The molecular weight of 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid is 481.09 g/mol.
Where can I buy 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid?
You can request a quote for 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.