![3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid structure](/static/products/3333/333395-15-6.webp)
3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
TL;DR: 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid (CAS 333395-15-6) is a chemical compound with molecular formula C31H14N4O10 and molecular weight 602.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid
Also Known As: BAS 00480774, 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid, 3,5-bis(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid, 3,5-Bis-(6-nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid
| Molecular Formula | C31H14N4O10 |
|---|---|
| Molecular Weight | 602.07 g/mol |
| LogP | 5.1088 |
| Topological Polar Surface Area | 198.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 602.071 |
| Heavy Atoms | 45 |
| Complexity | 2116.01 |
Chemical Identifiers
| CAS Number | 333395-15-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)N5C(=O)C6=C7C(=C(C=C6)[N+](=O)[O-])C=CC=C7C5=O)[N+](=O)[O-] |
Product Overview
3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid (CAS 333395-15-6), with molecular formula C31H14N4O10 and molecular weight 602.07 g/mol. IUPAC: 3,5-bis(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid.
Chemical Property Profile of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Property Insights of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
The XLogP value of 5.1088 indicates that 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.34 Ų indicates high polarity, suggesting 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid?
The CAS number of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid is 333395-15-6.
What is the molecular formula of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid?
The molecular formula of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid is C31H14N4O10.
What is the molecular weight of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid?
The molecular weight of 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid is 602.07 g/mol.
Where can I buy 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid?
You can request a quote for 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-bis(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.