Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate
TL;DR: Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate (CAS 80733-98-8) is a chemical compound with molecular formula C11H9NO5 and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
Also Known As: methyl (phthalimidooxy)acetate, Methyl phthalimido-oxyactate, Methyl 2-((1,3-dioxoisoindolin-2-yl)oxy)acetate, N-methoxycarbonylmethoxyphthalimide, methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
| Molecular Formula | C11H9NO5 |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04807 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 80733-98-8 |
|---|---|
| SMILES | COC(=O)CON1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | MSKBUVDLWGTLAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate (CAS 80733-98-8), with molecular formula C11H9NO5 and molecular weight 235.05 g/mol. IUPAC: methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate.
Chemical Property Profile of Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate
Property Insights of Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate. Following Lipinski's Rule of Five, Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate has 0 hydrogen bond donor(s) and 5 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 Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate?
The CAS number of Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate is 80733-98-8.
What is the molecular formula of Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate?
The molecular formula of Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate is C11H9NO5.
What is the molecular weight of Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate?
The molecular weight of Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate is 235.05 g/mol.
Where can I buy Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate?
You can request a quote for Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.