![[3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate structure](/static/products/351/351895-79-9.png)
[3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate
TL;DR: [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate (CAS 351895-79-9) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate
Also Known As: [3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate, 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl octanoate, 3-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl octanoate
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 4.6613 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 1000.8723 |
Chemical Identifiers
| CAS Number | 351895-79-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
Product Overview
[3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate (CAS 351895-79-9), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: [3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate.
Chemical Property Profile of [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate
Property Insights of [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate
The XLogP value of 4.6613 indicates that [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate 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 [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate. Following Lipinski's Rule of Five, [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate 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 [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate?
The CAS number of [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate is 351895-79-9.
What is the molecular formula of [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate?
The molecular formula of [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate is C22H22N2O6.
What is the molecular weight of [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate?
The molecular weight of [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate is 410.15 g/mol.
Where can I buy [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate?
You can request a quote for [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.