3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one
TL;DR: 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one (CAS 124938-31-4) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
Also Known As: Perimidine,1,2-dimethyl, 3a,4,7,7a-tetrahydro-1-benzofuran-2(3h)-one, 3a,4,7,7a-Tetrahydrobenzofuran-2(3H)-one, 3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one, 2,3,3a,4,7,7a-hexahydro-1-benzofuran-2-one
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.06808 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.06808 Da |
| Heavy Atoms | 10 |
| Complexity | 184.0 |
| SMILES | C1C=CCC2C1CC(=O)O2 |
| InChIKey | PPASVOQVTFYTSL-UHFFFAOYSA-N |
Chemical Property Profile of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one
Property Insights of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one?
The CAS number of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one is 124938-31-4.
What is the molecular formula of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one?
The molecular formula of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one is C8H10O2.
What is the molecular weight of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one?
The molecular weight of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one is 138.06808 g/mol.
Where can I buy 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one?
You can request a quote for 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one?
Yes, CoreyChem provides custom synthesis services for 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.