5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid
TL;DR: 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid (CAS 330634-97-4) is a chemical compound with molecular formula C22H12N2O9 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid
Also Known As: Phenol, potassium salt (4:1), 5-(5-(3-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid, 3,5-Dichloro-1,2-phenylene-diaMine, BAS 00332794, BIM-0014746.P001
| Molecular Formula | C22H12N2O9 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 3.5841 |
| Topological Polar Surface Area | 164.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0543 |
| Heavy Atoms | 33 |
| Complexity | 1347.7795 |
Chemical Identifiers
| CAS Number | 330634-97-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid (CAS 330634-97-4), with molecular formula C22H12N2O9 and molecular weight 448.05 g/mol. IUPAC: 5-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid
Property Insights of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid
The XLogP value of 3.5841 indicates that 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.35 Ų indicates high polarity, suggesting 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid has 2 hydrogen bond donor(s) and 7 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-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid?
The CAS number of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid is 330634-97-4.
What is the molecular formula of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid?
The molecular formula of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid is C22H12N2O9.
What is the molecular weight of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid?
The molecular weight of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid is 448.05 g/mol.
Where can I buy 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid?
You can request a quote for 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.