3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione
TL;DR: 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione (CAS 22884-84-0) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5,5-dimethyloxolane-2,4-dione
Also Known As: 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione, 3-acetyl-5,5-dimethyloxolane-2,4-dione, 3-Acetyl-5,5-dimethyl-2,4 -furandione, 2,4(3H,5H)-Furandione, 3-acetyl-5,5-dimethyl-, 3-acetyl-5,5-dimethylfuran-2,4(3H,5H)-dione
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 22884-84-0 |
|---|---|
| SMILES | CC(=O)C1C(=O)C(OC1=O)(C)C |
| InChIKey | ZIUVMQMEZATRLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione (CAS 22884-84-0), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 3-acetyl-5,5-dimethyloxolane-2,4-dione.
Chemical Property Profile of 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione
Property Insights of 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione. Following Lipinski's Rule of Five, 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione has 0 hydrogen bond donor(s) and 4 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-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione?
The CAS number of 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione is 22884-84-0.
What is the molecular formula of 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione?
The molecular formula of 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione is C8H10O4.
What is the molecular weight of 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione?
The molecular weight of 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione is 170.06 g/mol.
Where can I buy 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione?
You can request a quote for 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.