9alpha-Hydroxycinnamolide
TL;DR: 9alpha-Hydroxycinnamolide (CAS 111319-85-8) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
Also Known As: 9alpha-hydroxycinnamolide, (5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one, 9b-Hydroxy-6,6,9a-trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one, (5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo(e)(2)benzofuran-3-one, (5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one
Technical Specifications
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.15689 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.15689 Da |
| Heavy Atoms | 18 |
| Complexity | 437.0 |
| SMILES | C[C@]12CCCC([C@@H]1CC=C3[C@@]2(COC3=O)O)(C)C |
| InChIKey | OWEYHFSUROKINF-TUKIKUTGSA-N |
Chemical Property Profile of 9alpha-Hydroxycinnamolide
Property Insights of 9alpha-Hydroxycinnamolide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9alpha-Hydroxycinnamolide. With a topological polar surface area (TPSA) of 46.5 Ų, 9alpha-Hydroxycinnamolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9alpha-Hydroxycinnamolide 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 9alpha-Hydroxycinnamolide?
The CAS number of 9alpha-Hydroxycinnamolide is 111319-85-8.
What is the molecular formula of 9alpha-Hydroxycinnamolide?
The molecular formula of 9alpha-Hydroxycinnamolide is C15H22O3.
What is the molecular weight of 9alpha-Hydroxycinnamolide?
The molecular weight of 9alpha-Hydroxycinnamolide is 250.15689 g/mol.
Where can I buy 9alpha-Hydroxycinnamolide?
You can request a quote for 9alpha-Hydroxycinnamolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9alpha-Hydroxycinnamolide?
Yes, CoreyChem provides custom synthesis services for 9alpha-Hydroxycinnamolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.