5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
TL;DR: 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid (CAS 352218-45-2) is a chemical compound with molecular formula C16H8N2O8 and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitro-1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxylic acid
Also Known As: 5-(4-nitro-1,3-dioxoisoindolin-2-yl)isophthalic acid, 5-(4-nitro-1,3-dioxo-isoindol-2-yl)benzene-1,3-dicarboxylic Acid, 5-(4-nitro-1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxylic acid, 5-(4-nitro-1,3-dioxobenzo[c]azolin-2-yl)benzene-1,3-dicarboxylic acid, 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
| Molecular Formula | C16H8N2O8 |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 1.7918 |
| Topological Polar Surface Area | 155.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.02808 |
| Heavy Atoms | 26 |
| Complexity | 994.65497 |
Chemical Identifiers
| CAS Number | 352218-45-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O |
Product Overview
5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid (CAS 352218-45-2), with molecular formula C16H8N2O8 and molecular weight 356.03 g/mol. IUPAC: 5-(4-nitro-1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
Property Insights of 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
The XLogP value of 1.7918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid. The TPSA of 155.12 Ų indicates high polarity, suggesting 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic 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 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid?
The CAS number of 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid is 352218-45-2.
What is the molecular formula of 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid is C16H8N2O8.
What is the molecular weight of 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid is 356.03 g/mol.
Where can I buy 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.