1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-
TL;DR: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- (CAS 29811-04-9) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-methylpent-3-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 1,2,3,6-Tetrahydro-4-(4-methylpent-3-enyl)phthalic anhydride, KST-1B2900, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-pentenyl)-, 1,2,3,6-tetrahydro-4- phthalicanhydride, 5-(4-methylpent-3-en-1-yl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.1256 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.1256 Da |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
| SMILES | CC(=CCCC1=CCC2C(C1)C(=O)OC2=O)C |
| InChIKey | USHLVOCVVSTOQO-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-
Property Insights of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- 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
What is the CAS number of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-?
The CAS number of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- is 29811-04-9.
What is the molecular formula of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-?
The molecular formula of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- is C14H18O3.
What is the molecular weight of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-?
The molecular weight of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- is 234.1256 g/mol.
Where can I buy 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-?
You can request a quote for 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.