![4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid structure](/static/products/5756/5756-16-1.webp)
4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid
TL;DR: 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid (CAS 5756-16-1) is a chemical compound with molecular formula C22H14N2O7 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]methyl]benzoic acid
Also Known As: 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid, 4-[[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]methyl]benzoic acid, 4-[[5-(3-nitrophenoxy)-1,3-dioxo-isoindol-2-yl]methyl]benzoic Acid
| Molecular Formula | C22H14N2O7 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 3.8815 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.0801 |
| Heavy Atoms | 31 |
| Complexity | 1234.8618 |
Chemical Identifiers
| CAS Number | 5756-16-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-] |
Product Overview
4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid (CAS 5756-16-1), with molecular formula C22H14N2O7 and molecular weight 418.08 g/mol. IUPAC: 4-[[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]methyl]benzoic acid.
Chemical Property Profile of 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid
Property Insights of 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid
The XLogP value of 3.8815 indicates that 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic 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 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid?
The CAS number of 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid is 5756-16-1.
What is the molecular formula of 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid?
The molecular formula of 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid is C22H14N2O7.
What is the molecular weight of 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid?
The molecular weight of 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid is 418.08 g/mol.
Where can I buy 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid?
You can request a quote for 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.