4-(2-Furyl)-2-butanone
TL;DR: 4-(2-Furyl)-2-butanone (CAS 699-17-2) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)butan-2-one
Also Known As: 4-(2-Furyl)butan-2-one, 4-(furan-2-yl)butan-2-one, Furfurylacetone, Furfuryl acetone, 2-Butanone, 4-(2-furanyl)-
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
| Solubility | Slightly soluble in water |
Chemical Identifiers
| CAS Number | 699-17-2 |
|---|---|
| SMILES | CC(=O)CCC1=CC=CO1 |
| InChIKey | GGJUJWSDTDBTLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Furyl)-2-butanone (CAS 699-17-2), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 4-(furan-2-yl)butan-2-one.
Chemical Property Profile of 4-(2-Furyl)-2-butanone
Property Insights of 4-(2-Furyl)-2-butanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Furyl)-2-butanone. With a topological polar surface area (TPSA) of 30.2 Ų, 4-(2-Furyl)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Furyl)-2-butanone 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 4-(2-Furyl)-2-butanone?
The CAS number of 4-(2-Furyl)-2-butanone is 699-17-2.
What is the molecular formula of 4-(2-Furyl)-2-butanone?
The molecular formula of 4-(2-Furyl)-2-butanone is C8H10O2.
What is the molecular weight of 4-(2-Furyl)-2-butanone?
The molecular weight of 4-(2-Furyl)-2-butanone is 138.07 g/mol.
Where can I buy 4-(2-Furyl)-2-butanone?
You can request a quote for 4-(2-Furyl)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Furyl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Furyl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.