4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-
TL;DR: 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- (CAS 111957-97-2) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-, J2.793.581H, 1,7-dimethyl-4,10-dioxatricyclo[5.2.1.0,2,6]decane-3,5-dione, 1,4-Dimethyl-7-oxa-norbornan-2,3-dicarbonsaeure-anhydrid, 4,7-Dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 111957-97-2 |
|---|---|
| SMILES | CC12CCC(O1)(C3C2C(=O)OC3=O)C |
| InChIKey | REXARJRMGFUATC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- (CAS 111957-97-2), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 1,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-
Property Insights of 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-. With a topological polar surface area (TPSA) of 52.6 Ų, 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- 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 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-?
The CAS number of 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- is 111957-97-2.
What is the molecular formula of 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-?
The molecular formula of 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- is C10H12O4.
What is the molecular weight of 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-?
The molecular weight of 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- is 196.07 g/mol.
Where can I buy 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-?
You can request a quote for 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.