![[4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate structure](/static/products/3053/305358-69-4.webp)
[4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate
TL;DR: [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate (CAS 305358-69-4) 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-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate
Also Known As: BAS 02225101, [4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate, 2-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylphenyl acetate, 4-methyl-2-(4-nitro-1,3-dioxoisoindolin-2-yl)phenyl acetate, 4-methyl-2-(4-nitro-1,3-dioxobenzo[c]azolidin-2-yl)phenyl acetate
| Molecular Formula | C17H12N2O6 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 2.62912 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.06955 |
| Heavy Atoms | 25 |
| Complexity | 950.1494 |
Chemical Identifiers
| CAS Number | 305358-69-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
Product Overview
[4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate (CAS 305358-69-4), with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol. IUPAC: [4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate.
Chemical Property Profile of [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate
Property Insights of [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate
The XLogP value of 2.62912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate. Following Lipinski's Rule of Five, [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate 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 [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate?
The CAS number of [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate is 305358-69-4.
What is the molecular formula of [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate?
The molecular formula of [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate is C17H12N2O6.
What is the molecular weight of [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate?
The molecular weight of [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate is 340.07 g/mol.
Where can I buy [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate?
You can request a quote for [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-Methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.