![2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate structure](/static/products/3134/313401-77-3.webp)
2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate
TL;DR: 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate (CAS 313401-77-3) is a chemical compound with molecular formula C18H14N2O7 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]ethyl acetate
Also Known As: BAS 00298215, AB00075801-01, 2-(5-(3-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)ethyl acetate, 2-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]ethyl acetate, 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate
| Molecular Formula | C18H14N2O7 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 2.5462 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.0801 |
| Heavy Atoms | 27 |
| Complexity | 954.4764 |
Chemical Identifiers
| CAS Number | 313401-77-3 |
|---|---|
| SMILES | CC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=CC(=C3)[N+](=O)[O-] |
Product Overview
2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate (CAS 313401-77-3), with molecular formula C18H14N2O7 and molecular weight 370.08 g/mol. IUPAC: 2-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]ethyl acetate.
Chemical Property Profile of 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate
Property Insights of 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate
The XLogP value of 2.5462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate. Following Lipinski's Rule of Five, 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl 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-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate?
The CAS number of 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate is 313401-77-3.
What is the molecular formula of 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate?
The molecular formula of 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate is C18H14N2O7.
What is the molecular weight of 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate?
The molecular weight of 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate is 370.08 g/mol.
Where can I buy 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate?
You can request a quote for 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-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-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.