3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
TL;DR: 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione (CAS 5426-09-5) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione, ETPA-exo, Furan-maleic anhydride adduct, 2,5-Dimethylpyrrolidine, exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 5426-09-5 |
|---|---|
| SMILES | C1=CC2C3C(C1O2)C(=O)OC3=O |
| InChIKey | QQYNRBAAQFZCLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione (CAS 5426-09-5), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: 4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
Property Insights of 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
The XLogP value of -0.5 indicates that 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione has 0 hydrogen bond donor(s) and 4 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 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione?
The CAS number of 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione is 5426-09-5.
What is the molecular formula of 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione?
The molecular formula of 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione is C8H6O4.
What is the molecular weight of 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione?
The molecular weight of 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione is 166.03 g/mol.
Where can I buy 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione?
You can request a quote for 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.