2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate
TL;DR: 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate (CAS 72552-98-8) is a chemical compound with molecular formula C12H10N2O6 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl acetate
Also Known As: BAS 00298214, 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl acetate, AB00075800-01, 1H-Isoindole-1,3(2H)-dione, 2-[2-(acetyloxy)ethyl]-5-nitro-, 2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl acetate
| Molecular Formula | C12H10N2O6 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0539 |
| Heavy Atoms | 20 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 72552-98-8 |
|---|---|
| SMILES | CC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SWPURVOSXQNNLH-UHFFFAOYSA-N |
Product Overview
2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate (CAS 72552-98-8), with molecular formula C12H10N2O6 and molecular weight 278.05 g/mol. IUPAC: 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl acetate.
Chemical Property Profile of 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate
Property Insights of 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate. Following Lipinski's Rule of Five, 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl 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-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate?
The CAS number of 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate is 72552-98-8.
What is the molecular formula of 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate?
The molecular formula of 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate is C12H10N2O6.
What is the molecular weight of 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate?
The molecular weight of 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate is 278.05 g/mol.
Where can I buy 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate?
You can request a quote for 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl 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-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Nitro-1,3-dioxoisoindol-2-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.