(3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one
TL;DR: (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one (CAS 123914-48-7) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,5R)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
Also Known As: Heritonin, J2.046.882C, (3aS,5R)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one, Naphtho(2,1-b)furan-2(3aH)-one, 4,5-dihydro-7-methoxy-1,5,8-trimethyl-, (3aS-trans)-, (3aS)-1,5beta,8-Trimethyl-7-methoxy-2,3aalpha,4,5-tetrahydronaphtho[2,1-b]furan-2-one
Technical Specifications
| Molecular Formula | C16H18O3 |
| Molecular Weight | 258.12558 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.12558 Da |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
| SMILES | C[C@@H]1C[C@H]2C(=C(C(=O)O2)C)C3=C1C=C(C(=C3)C)OC |
| InChIKey | CEVWVTGBJBHAMO-CLAHSXSESA-N |
Chemical Property Profile of (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one
Property Insights of (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one. With a topological polar surface area (TPSA) of 35.5 Ų, (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one 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 (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one?
The CAS number of (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one is 123914-48-7.
What is the molecular formula of (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one?
The molecular formula of (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one is C16H18O3.
What is the molecular weight of (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one?
The molecular weight of (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one is 258.12558 g/mol.
Where can I buy (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one?
You can request a quote for (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one?
Yes, CoreyChem provides custom synthesis services for (3aS,5R)-4,5-Dihydro-7-methoxy-1,5,8-trimethylnaphtho(2,1-b)furan-2(3aH)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.