1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone
TL;DR: 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone (CAS 106004-06-2) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-2,5-dimethylfuran-3-yl)ethanone
Also Known As: 2,4-diacetylfuran, 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone, 3,5-dimethylfuran, 2,5-Dimethyl-3,4-diacetylfuran, 3,4-Diacetyl-2,5-dimethylfuran
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 106004-06-2 |
|---|---|
| SMILES | CC1=C(C(=C(O1)C)C(=O)C)C(=O)C |
| InChIKey | RAASFOAHTSHSKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone (CAS 106004-06-2), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-(4-acetyl-2,5-dimethylfuran-3-yl)ethanone.
Chemical Property Profile of 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone
Property Insights of 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone. With a topological polar surface area (TPSA) of 47.3 Ų, 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone has 0 hydrogen bond donor(s) and 3 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 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone?
The CAS number of 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone is 106004-06-2.
What is the molecular formula of 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone?
The molecular formula of 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone is C10H12O3.
What is the molecular weight of 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone?
The molecular weight of 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone is 180.08 g/mol.
Where can I buy 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone?
You can request a quote for 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.