(4aS,8aS)-octahydro-3H-isochromen-3-one
TL;DR: (4aS,8aS)-octahydro-3H-isochromen-3-one (CAS 131647-21-7) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,8aS)-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
Also Known As: (4aS,8aS)-octahydro-3H-isochromen-3-one, cis-octahydro-3h-2-benzopyran-3-one, (2-Hydroxymethylcyclohexyl)acetic acid lactone, (4aS,8aS)-octahydro-1H-2-benzopyran-3-one, (4abeta,8abeta)-Octahydro-3H-2-benzopyran-3-one
Technical Specifications
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.09938 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.09938 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| SMILES | C1CC[C@@H]2COC(=O)C[C@@H]2C1 |
| InChIKey | AYMWCZFEDLLHMI-JGVFFNPUSA-N |
Chemical Property Profile of (4aS,8aS)-octahydro-3H-isochromen-3-one
Property Insights of (4aS,8aS)-octahydro-3H-isochromen-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aS,8aS)-octahydro-3H-isochromen-3-one. With a topological polar surface area (TPSA) of 26.3 Ų, (4aS,8aS)-octahydro-3H-isochromen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS,8aS)-octahydro-3H-isochromen-3-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 (4aS,8aS)-octahydro-3H-isochromen-3-one?
The CAS number of (4aS,8aS)-octahydro-3H-isochromen-3-one is 131647-21-7.
What is the molecular formula of (4aS,8aS)-octahydro-3H-isochromen-3-one?
The molecular formula of (4aS,8aS)-octahydro-3H-isochromen-3-one is C9H14O2.
What is the molecular weight of (4aS,8aS)-octahydro-3H-isochromen-3-one?
The molecular weight of (4aS,8aS)-octahydro-3H-isochromen-3-one is 154.09938 g/mol.
Where can I buy (4aS,8aS)-octahydro-3H-isochromen-3-one?
You can request a quote for (4aS,8aS)-octahydro-3H-isochromen-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4aS,8aS)-octahydro-3H-isochromen-3-one?
Yes, CoreyChem provides custom synthesis services for (4aS,8aS)-octahydro-3H-isochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.