![2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid structure](/static/products/610/61035-44-7.png)
2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
TL;DR: 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid (CAS 61035-44-7) is a chemical compound with molecular formula C19H10N2O9S and molecular weight 442.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
Also Known As: 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid, 2-(((3-nitrophenyl)sulfonyl)oxy)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid, 2-{[(3-nitrophenyl)sulfonyl]oxy}-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
| Molecular Formula | C19H10N2O9S |
|---|---|
| Molecular Weight | 442.01 g/mol |
| LogP | 2.3627 |
| Topological Polar Surface Area | 161.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0107 |
| Heavy Atoms | 31 |
| Complexity | 1407.3141 |
Chemical Identifiers
| CAS Number | 61035-44-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)ON2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O)[N+](=O)[O-] |
Product Overview
2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid (CAS 61035-44-7), with molecular formula C19H10N2O9S and molecular weight 442.01 g/mol. IUPAC: 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid.
Chemical Property Profile of 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
Property Insights of 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
The XLogP value of 2.3627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid. The TPSA of 161.19 Ų indicates high polarity, suggesting 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid has 1 hydrogen bond donor(s) and 8 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 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The CAS number of 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is 61035-44-7.
What is the molecular formula of 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The molecular formula of 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is C19H10N2O9S.
What is the molecular weight of 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The molecular weight of 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is 442.01 g/mol.
Where can I buy 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
You can request a quote for 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitrophenyl)sulfonyloxy-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.