![[2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate structure](/static/products/438/438541-27-6.png)
[2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate
TL;DR: [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate (CAS 438541-27-6) is a chemical compound with molecular formula C23H14N2O7 and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate
Also Known As: [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate, 2-(5-(3-nitrobenzoyl)-1,3-dioxoisoindolin-2-yl)phenyl acetate, 2-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl acetate, 2-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxobenzo[c]azolidin-2-yl}phenyl acetate
| Molecular Formula | C23H14N2O7 |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 3.5517 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.0801 |
| Heavy Atoms | 32 |
| Complexity | 1329.4252 |
Chemical Identifiers
| CAS Number | 438541-27-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
[2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate (CAS 438541-27-6), with molecular formula C23H14N2O7 and molecular weight 430.08 g/mol. IUPAC: [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate.
Chemical Property Profile of [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate
Property Insights of [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate
The XLogP value of 3.5517 indicates that [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate. Following Lipinski's Rule of Five, [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate has 0 hydrogen bond donor(s) and 7 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-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate?
The CAS number of [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate is 438541-27-6.
What is the molecular formula of [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate?
The molecular formula of [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate is C23H14N2O7.
What is the molecular weight of [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate?
The molecular weight of [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate is 430.08 g/mol.
Where can I buy [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate?
You can request a quote for [2-[5-(3-nitrobenzoyl)-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 [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.