(1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate
TL;DR: (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate (CAS 73806-13-0) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl acetate
Also Known As: N-Acetyloxymethyl-3,6-endoxohexahydrophthalimide, 3,6-Endoxohexahydro-N-hydroxymethylphthalimide acetate, Phthalimide, hexahydro-3,6-endoxo-N-hydroxymethyl-, acetate, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-hydroxymethyl-, acetate, (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 73806-13-0 |
|---|---|
| SMILES | CC(=O)OCN1C(=O)C2C3CCC(C2C1=O)O3 |
| InChIKey | OLJIIVYRMGVCHW-UHFFFAOYSA-N |
Product Overview
(1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate (CAS 73806-13-0), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: (1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl acetate.
Chemical Property Profile of (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate
Property Insights of (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate
The XLogP value of -0.6 indicates that (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl 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-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate. Following Lipinski's Rule of Five, (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl 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-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate?
The CAS number of (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate is 73806-13-0.
What is the molecular formula of (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate?
The molecular formula of (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate is C11H13NO5.
What is the molecular weight of (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate?
The molecular weight of (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate is 239.08 g/mol.
Where can I buy (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate?
You can request a quote for (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl 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-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.