3-Methyl-2(5H)-furanone
TL;DR: 3-Methyl-2(5H)-furanone (CAS 22122-36-7) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2H-furan-5-one
Also Known As: 3-Methyl-2(5H)-furanone, 3-Methylfuran-2(5H)-one, 4-methyl-2H-furan-5-one, 2(5H)-Furanone, 3-methyl-, 2-Methyl-2-butenolide
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 22122-36-7 |
|---|---|
| SMILES | CC1=CCOC1=O |
| InChIKey | VGHBEMPMIVEGJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2(5H)-furanone (CAS 22122-36-7), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: 4-methyl-2H-furan-5-one.
Chemical Property Profile of 3-Methyl-2(5H)-furanone
Property Insights of 3-Methyl-2(5H)-furanone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2(5H)-furanone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methyl-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2(5H)-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 3-Methyl-2(5H)-furanone?
The CAS number of 3-Methyl-2(5H)-furanone is 22122-36-7.
What is the molecular formula of 3-Methyl-2(5H)-furanone?
The molecular formula of 3-Methyl-2(5H)-furanone is C5H6O2.
What is the molecular weight of 3-Methyl-2(5H)-furanone?
The molecular weight of 3-Methyl-2(5H)-furanone is 98.04 g/mol.
Where can I buy 3-Methyl-2(5H)-furanone?
You can request a quote for 3-Methyl-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.