Furfuryl methyl ketone
TL;DR: Furfuryl methyl ketone (CAS 90080-18-5) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)propan-2-one
Also Known As: 2-Furylacetone, Furylacetone, 2-Acetonylfuran, Furfuryl methyl ketone, Furyl acetone
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 90080-18-5 |
|---|---|
| SMILES | CC(=O)CC1=CC=CO1 |
| InChIKey | IQOJTGSBENZIOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl methyl ketone (CAS 90080-18-5), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: 1-(furan-2-yl)propan-2-one.
Chemical Property Profile of Furfuryl methyl ketone
Property Insights of Furfuryl methyl ketone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl methyl ketone. With a topological polar surface area (TPSA) of 30.2 Ų, Furfuryl methyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl methyl ketone 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 Furfuryl methyl ketone?
The CAS number of Furfuryl methyl ketone is 90080-18-5.
What is the molecular formula of Furfuryl methyl ketone?
The molecular formula of Furfuryl methyl ketone is C7H8O2.
What is the molecular weight of Furfuryl methyl ketone?
The molecular weight of Furfuryl methyl ketone is 124.05 g/mol.
Where can I buy Furfuryl methyl ketone?
You can request a quote for Furfuryl methyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl methyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl methyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.