7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
TL;DR: 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one (CAS 1005056-10-9) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7a-hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
Also Known As: 7a-Hydroxy-7-phenylhexahydrobenzofuran-2(3H)-one, 7-Phenyl-7a-hydroxyoctahydrobenzofuran-2-one, J3.721.841C, 7a-hydroxy-7-phenyl-octahydro-1-benzofuran-2-one, 7a-hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
Technical Specifications
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.10994 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.10994 Da |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
| SMILES | C1CC2CC(=O)OC2(C(C1)C3=CC=CC=C3)O |
| InChIKey | ZMWQOEWNVDTTKC-UHFFFAOYSA-N |
Chemical Property Profile of 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
Property Insights of 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one has 1 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 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one?
The CAS number of 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one is 1005056-10-9.
What is the molecular formula of 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one?
The molecular formula of 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one is C14H16O3.
What is the molecular weight of 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one?
The molecular weight of 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one is 232.10994 g/mol.
Where can I buy 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one?
You can request a quote for 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one?
Yes, CoreyChem provides custom synthesis services for 7a-Hydroxy-7-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.