3,4,5-trimethylfuran-2(5H)-one
TL;DR: 3,4,5-trimethylfuran-2(5H)-one (CAS 33488-51-6) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trimethyl-2H-furan-5-one
Also Known As: 3,4,5-Trimethyl-2(5H)-furanone, Trimethylbutenolide, 3,4,5-trimethylfuran-2(5h)-one, 2,3,4-trimethyl-2H-furan-5-one, 2(5H)-Furanone, 3,4,5-trimethyl-
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.2681 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 179.35518 |
Chemical Identifiers
| CAS Number | 33488-51-6 |
|---|---|
| SMILES | CC1C(=C(C(=O)O1)C)C |
Product Overview
3,4,5-trimethylfuran-2(5H)-one (CAS 33488-51-6), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 2,3,4-trimethyl-2H-furan-5-one.
Chemical Property Profile of 3,4,5-trimethylfuran-2(5H)-one
Property Insights of 3,4,5-trimethylfuran-2(5H)-one
The XLogP value of 1.2681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-trimethylfuran-2(5H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4,5-trimethylfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-trimethylfuran-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 3,4,5-trimethylfuran-2(5H)-one?
The CAS number of 3,4,5-trimethylfuran-2(5H)-one is 33488-51-6.
What is the molecular formula of 3,4,5-trimethylfuran-2(5H)-one?
The molecular formula of 3,4,5-trimethylfuran-2(5H)-one is C7H10O2.
What is the molecular weight of 3,4,5-trimethylfuran-2(5H)-one?
The molecular weight of 3,4,5-trimethylfuran-2(5H)-one is 126.07 g/mol.
Where can I buy 3,4,5-trimethylfuran-2(5H)-one?
You can request a quote for 3,4,5-trimethylfuran-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 3,4,5-trimethylfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-trimethylfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.