2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
TL;DR: 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 110768-17-7) is a chemical compound with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: BAS 00100876, 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid, 2-(3-nitrophenyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(3-nitrophenyl)-1,3-dioxobenzo[c]azoline-5-carboxylic acid, 2-(3-Nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
| Molecular Formula | C15H8N2O6 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.03824 |
| Heavy Atoms | 23 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 110768-17-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | YPLJCJIUZGTECP-UHFFFAOYSA-N |
Product Overview
2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 110768-17-7), with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol. IUPAC: 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Property Insights of 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid has 1 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-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The CAS number of 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 110768-17-7.
What is the molecular formula of 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular formula of 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is C15H8N2O6.
What is the molecular weight of 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular weight of 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 312.04 g/mol.
Where can I buy 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
You can request a quote for 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-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-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.