5-Butyl-4-methyldihydro-2(3H)-furanone
TL;DR: 5-Butyl-4-methyldihydro-2(3H)-furanone (CAS 39212-23-2) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-4-methyloxolan-2-one
Also Known As: Whiskey lactone, Methyloctalactone, Oaklactone, Quercuslactone a, methyl octalactone
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 39212-23-2 |
|---|---|
| SMILES | CCCCC1C(CC(=O)O1)C |
| InChIKey | WNVCMFHPRIBNCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Butyl-4-methyldihydro-2(3H)-furanone (CAS 39212-23-2), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 5-butyl-4-methyloxolan-2-one.
Chemical Property Profile of 5-Butyl-4-methyldihydro-2(3H)-furanone
Property Insights of 5-Butyl-4-methyldihydro-2(3H)-furanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-4-methyldihydro-2(3H)-furanone. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Butyl-4-methyldihydro-2(3H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-4-methyldihydro-2(3H)-furanone 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 5-Butyl-4-methyldihydro-2(3H)-furanone?
The CAS number of 5-Butyl-4-methyldihydro-2(3H)-furanone is 39212-23-2.
What is the molecular formula of 5-Butyl-4-methyldihydro-2(3H)-furanone?
The molecular formula of 5-Butyl-4-methyldihydro-2(3H)-furanone is C9H16O2.
What is the molecular weight of 5-Butyl-4-methyldihydro-2(3H)-furanone?
The molecular weight of 5-Butyl-4-methyldihydro-2(3H)-furanone is 156.12 g/mol.
Where can I buy 5-Butyl-4-methyldihydro-2(3H)-furanone?
You can request a quote for 5-Butyl-4-methyldihydro-2(3H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-4-methyldihydro-2(3H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-4-methyldihydro-2(3H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.