3,5-Dimethylfuran-2(5H)-one
TL;DR: 3,5-Dimethylfuran-2(5H)-one (CAS 5584-69-0) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-2H-furan-5-one
Also Known As: 2,4-dimethyl-2H-furan-5-one, xi-3,5-Dimethyl-2(5H)-furanone, 3,5-dimethylfuran-2(5H)-one, 3,5-dimethyl-5H-furan-2-one, 3,5-Dimethyl-2(5H)-furanone
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 5584-69-0 |
|---|---|
| SMILES | CC1C=C(C(=O)O1)C |
| InChIKey | SAXRUMLUKZBSTO-UHFFFAOYSA-N |
Product Overview
3,5-Dimethylfuran-2(5H)-one (CAS 5584-69-0), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 2,4-dimethyl-2H-furan-5-one.
Chemical Property Profile of 3,5-Dimethylfuran-2(5H)-one
Property Insights of 3,5-Dimethylfuran-2(5H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylfuran-2(5H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5-Dimethylfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylfuran-2(5H)-one 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 3,5-Dimethylfuran-2(5H)-one?
The CAS number of 3,5-Dimethylfuran-2(5H)-one is 5584-69-0.
What is the molecular formula of 3,5-Dimethylfuran-2(5H)-one?
The molecular formula of 3,5-Dimethylfuran-2(5H)-one is C6H8O2.
What is the molecular weight of 3,5-Dimethylfuran-2(5H)-one?
The molecular weight of 3,5-Dimethylfuran-2(5H)-one is 112.05 g/mol.
Where can I buy 3,5-Dimethylfuran-2(5H)-one?
You can request a quote for 3,5-Dimethylfuran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.