Elsholtziaketone
TL;DR: Elsholtziaketone (CAS 488-05-1) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(3-methylfuran-2-yl)butan-1-one
Also Known As: Elsholtziaketone, Elsholtzia ketone, Elsholtzione, Elsholtzia, 3-methyl-1-(3-methylfuran-2-yl)butan-1-one
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 488-05-1 |
|---|---|
| SMILES | CC1=C(OC=C1)C(=O)CC(C)C |
| InChIKey | MYPGRLGQLDFZMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elsholtziaketone (CAS 488-05-1), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 3-methyl-1-(3-methylfuran-2-yl)butan-1-one.
Chemical Property Profile of Elsholtziaketone
Property Insights of Elsholtziaketone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elsholtziaketone. With a topological polar surface area (TPSA) of 30.2 Ų, Elsholtziaketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elsholtziaketone 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
Frequently Asked Questions
What is the CAS number of Elsholtziaketone?
The CAS number of Elsholtziaketone is 488-05-1.
What is the molecular formula of Elsholtziaketone?
The molecular formula of Elsholtziaketone is C10H14O2.
What is the molecular weight of Elsholtziaketone?
The molecular weight of Elsholtziaketone is 166.10 g/mol.
Where can I buy Elsholtziaketone?
You can request a quote for Elsholtziaketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elsholtziaketone?
Yes, KEHONG BIO provides custom synthesis services for Elsholtziaketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.