(1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate
TL;DR: (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate (CAS 55057-72-2) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate
Also Known As: (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate, 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl acetate
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 55057-72-2 |
|---|---|
| SMILES | CC(=O)ON1C(=O)C2C3C=CC(C2C1=O)O3 |
| InChIKey | WIKGMPUCEMXLAV-UHFFFAOYSA-N |
Product Overview
(1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate (CAS 55057-72-2), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: (1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate.
Chemical Property Profile of (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate
Property Insights of (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate
The XLogP value of -0.8 indicates that (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate. Following Lipinski's Rule of Five, (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) 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 (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate?
The CAS number of (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate is 55057-72-2.
What is the molecular formula of (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate?
The molecular formula of (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate is C10H9NO5.
What is the molecular weight of (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate?
The molecular weight of (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate is 223.05 g/mol.
Where can I buy (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate?
You can request a quote for (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.