![3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid structure](/static/products/3058/305857-46-9.webp)
3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
TL;DR: 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid (CAS 305857-46-9) is a chemical compound with molecular formula C21H12N2O7 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid
Also Known As: BAS 00203048, 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid, 3-(5-(4-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)benzoic acid, 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid, 3-[5-(4-Nitro-phenoxy)-1,3-dioxo-1,3-dihydro-isoindol-2-yl]-benzoic acid
| Molecular Formula | C21H12N2O7 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 3.8859 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.06445 |
| Heavy Atoms | 30 |
| Complexity | 1218.2794 |
Chemical Identifiers
| CAS Number | 305857-46-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O |
Product Overview
3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid (CAS 305857-46-9), with molecular formula C21H12N2O7 and molecular weight 404.06 g/mol. IUPAC: 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid.
Chemical Property Profile of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Property Insights of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
The XLogP value of 3.8859 indicates that 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]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 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]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 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
The CAS number of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid is 305857-46-9.
What is the molecular formula of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
The molecular formula of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid is C21H12N2O7.
What is the molecular weight of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
The molecular weight of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid is 404.06 g/mol.
Where can I buy 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
You can request a quote for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.