Acetylivalin
TL;DR: Acetylivalin (CAS 60109-20-8) is a chemical compound with molecular formula C17H22O4 and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4aS,7S,8aR,9aR)-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate
Also Known As: Acetylivalin, Ivalin, acetate, 8a-Methyl-3,5-dimethylidene-2-oxododecahydronaphtho[2,3-b]furan-7-yl acetate, (3aalpha,4aalpha,9aalpha)-3,5-Bismethylene-7alpha-acetoxy-8abeta-methyldecahydronaphtho[2,3-b]furan-2(3H)-one, (3aR,4aS,7S,8aR,9aR)-8a-methyl-3,5-dimethylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-7-yl acetate
| Molecular Formula | C17H22O4 |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.1518 |
| Heavy Atoms | 21 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 60109-20-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC(=C)[C@@H]2C[C@H]3[C@@H](C[C@]2(C1)C)OC(=O)C3=C |
| InChIKey | QPWCHXDSBJOZCP-LVNYTYFRSA-N |
Product Overview
Acetylivalin (CAS 60109-20-8), with molecular formula C17H22O4 and molecular weight 290.15 g/mol. IUPAC: [(3aR,4aS,7S,8aR,9aR)-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate.
Chemical Property Profile of Acetylivalin
Property Insights of Acetylivalin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylivalin. With a topological polar surface area (TPSA) of 52.6 Ų, Acetylivalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylivalin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylivalin?
The CAS number of Acetylivalin is 60109-20-8.
What is the molecular formula of Acetylivalin?
The molecular formula of Acetylivalin is C17H22O4.
What is the molecular weight of Acetylivalin?
The molecular weight of Acetylivalin is 290.15 g/mol.
Where can I buy Acetylivalin?
You can request a quote for Acetylivalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylivalin?
Yes, KEHONG BIO provides custom synthesis services for Acetylivalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.