2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
TL;DR: 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione (CAS 301319-62-0) is a chemical compound with molecular formula C22H14N2O6 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
Also Known As: BIM-0000141.P001, 2-(3-acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione, 2-(3-acetylphenyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione, 1-acetyl-3-[5-(4-nitrophenoxy)-1,3-dioxobenzo[c]azolidin-2-yl]benzene
| Molecular Formula | C22H14N2O6 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 4.3903 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.08517 |
| Heavy Atoms | 30 |
| Complexity | 1216.5524 |
Chemical Identifiers
| CAS Number | 301319-62-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione (CAS 301319-62-0), with molecular formula C22H14N2O6 and molecular weight 402.09 g/mol. IUPAC: 2-(3-acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione.
Chemical Property Profile of 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
Property Insights of 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
The XLogP value of 4.3903 indicates that 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione has 0 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 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The CAS number of 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione is 301319-62-0.
What is the molecular formula of 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The molecular formula of 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione is C22H14N2O6.
What is the molecular weight of 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The molecular weight of 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione is 402.09 g/mol.
Where can I buy 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
You can request a quote for 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Acetylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.