![(3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one structure](/static/products/121/1212434-23-5.webp)
(3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
TL;DR: (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one (CAS 1212434-23-5) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Also Known As: (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Technical Specifications
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.14125 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 Da |
| Heavy Atoms | 18 |
| Complexity | 451.0 |
| SMILES | C[C@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)C3=C)O)C |
| InChIKey | YCGJWERFZRIVQQ-KJXAWDOSSA-N |
Chemical Property Profile of (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Property Insights of (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][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 (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one?
The CAS number of (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one is 1212434-23-5.
What is the molecular formula of (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one?
The molecular formula of (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one is C15H20O3.
What is the molecular weight of (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one?
The molecular weight of (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one is 248.14125 g/mol.
Where can I buy (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one?
You can request a quote for (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one?
Yes, CoreyChem provides custom synthesis services for (3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.