1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-
TL;DR: 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- (CAS 54644-18-7) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Also Known As: 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-, 3,6-Dimethylcyclohexane-1,2-dicarboxylicanhydride, 3,6-Dimethylcyclohexane-1,2-dicarboxylic anhydride, 4,7-Dimethylhexahydro-2-benzofuran-1,3-dione, 4,7-dimethyl-octahydro-2-benzofuran-1,3-dione
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 54644-18-7 |
|---|---|
| SMILES | CC1CCC(C2C1C(=O)OC2=O)C |
| InChIKey | DKEVJZAPFJJLJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- (CAS 54644-18-7), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 4,7-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-
Property Insights of 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- has 0 hydrogen bond donor(s) and 3 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-Isobenzofurandione, hexahydro-4,7-dimethyl-?
The CAS number of 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- is 54644-18-7.
What is the molecular formula of 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-?
The molecular formula of 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- is C10H14O3.
What is the molecular weight of 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-?
The molecular weight of 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- is 182.09 g/mol.
Where can I buy 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-?
You can request a quote for 1,3-Isobenzofurandione, 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 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.