2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
TL;DR: 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate (CAS 313258-80-9) is a chemical compound with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate
Also Known As: BIM-0012404.P001, [2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate, 2-(4-nitro-1,3-dioxoisoindolin-2-yl)phenyl acetate, 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
| Molecular Formula | C16H10N2O6 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0539 |
| Heavy Atoms | 24 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 313258-80-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
| InChIKey | XENPBKONCCVRIF-UHFFFAOYSA-N |
Product Overview
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate (CAS 313258-80-9), with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol. IUPAC: [2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate.
Chemical Property Profile of 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
Property Insights of 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate. Following Lipinski's Rule of Five, 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-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 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate?
The CAS number of 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate is 313258-80-9.
What is the molecular formula of 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate?
The molecular formula of 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate is C16H10N2O6.
What is the molecular weight of 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate?
The molecular weight of 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate is 326.05 g/mol.
Where can I buy 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate?
You can request a quote for 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-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-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.