![4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid structure](/static/products/3204/320420-41-5.webp)
4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid
TL;DR: 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid (CAS 320420-41-5) is a chemical compound with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-nitro-2-(3-oxo-1H-2-benzofuran-1-yl)ethenyl]amino]benzoic acid
Also Known As: 4-[[2-nitro-2-(3-oxo-1H-2-benzofuran-1-yl)ethenyl]amino]benzoic acid, 4-[[2-nitro-2-(3-oxo-1H-isobenzofuran-1-yl)ethenyl]amino]benzoic Acid, 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid, 4-{[2-Nitro-2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)ethenyl]amino}benzoic acid, 4-{[2-nitro-2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)vinyl]amino}benzenecarboxylic acid
| Molecular Formula | C17H12N2O6 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 2.8265 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.06955 |
| Heavy Atoms | 25 |
| Complexity | 888.266 |
Chemical Identifiers
| CAS Number | 320420-41-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid (CAS 320420-41-5), with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol. IUPAC: 4-[[2-nitro-2-(3-oxo-1H-2-benzofuran-1-yl)ethenyl]amino]benzoic acid.
Chemical Property Profile of 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid
Property Insights of 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid
The XLogP value of 2.8265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic 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 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid?
The CAS number of 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid is 320420-41-5.
What is the molecular formula of 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid?
The molecular formula of 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid is C17H12N2O6.
What is the molecular weight of 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid?
The molecular weight of 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid is 340.07 g/mol.
Where can I buy 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid?
You can request a quote for 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]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-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-2-nitroethenyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.