2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 406709-91-9) is a chemical compound with molecular formula C15H9N3O6 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroanilino)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-((2-nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(2-nitroanilino)-1,3-dioxoisoindole-5-carboxylic acid, 2-[(2-nitrophenyl)amino]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, F1189-0017, 2-(2-NITROANILINO)-1,3-DIOXO-5-ISOINDOLINECARBOXYLIC ACID
| Molecular Formula | C15H9N3O6 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 1.9161 |
| Topological Polar Surface Area | 129.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.04913 |
| Heavy Atoms | 24 |
| Complexity | 907.83246 |
Chemical Identifiers
| CAS Number | 406709-91-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 406709-91-9), with molecular formula C15H9N3O6 and molecular weight 327.05 g/mol. IUPAC: 2-(2-nitroanilino)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 1.9161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 129.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic 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 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid is 406709-91-9.
What is the molecular formula of 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid is C15H9N3O6.
What is the molecular weight of 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid is 327.05 g/mol.
Where can I buy 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-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-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Nitrophenyl)amino)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.