1-(2-Furanyl)-1,2-propanedione
TL;DR: 1-(2-Furanyl)-1,2-propanedione (CAS 1438-92-2) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)propane-1,2-dione
Also Known As: 1-(2-Furyl)propane-1,2-dione, alpha-Furyl methyl diketone, 1-(furan-2-yl)propane-1,2-dione, a-Furyl methyl diketone, 1-(2-furyl)-1,2-propanedione
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| Melting Point | 60 - 61 °C |
Chemical Identifiers
| CAS Number | 1438-92-2 |
|---|---|
| SMILES | CC(=O)C(=O)C1=CC=CO1 |
| InChIKey | JXZJRYDTSDCGLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Furanyl)-1,2-propanedione (CAS 1438-92-2), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 1-(furan-2-yl)propane-1,2-dione.
Chemical Property Profile of 1-(2-Furanyl)-1,2-propanedione
Property Insights of 1-(2-Furanyl)-1,2-propanedione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Furanyl)-1,2-propanedione. With a topological polar surface area (TPSA) of 47.3 Ų, 1-(2-Furanyl)-1,2-propanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Furanyl)-1,2-propanedione 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-(2-Furanyl)-1,2-propanedione?
The CAS number of 1-(2-Furanyl)-1,2-propanedione is 1438-92-2.
What is the molecular formula of 1-(2-Furanyl)-1,2-propanedione?
The molecular formula of 1-(2-Furanyl)-1,2-propanedione is C7H6O3.
What is the molecular weight of 1-(2-Furanyl)-1,2-propanedione?
The molecular weight of 1-(2-Furanyl)-1,2-propanedione is 138.03 g/mol.
Where can I buy 1-(2-Furanyl)-1,2-propanedione?
You can request a quote for 1-(2-Furanyl)-1,2-propanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Furanyl)-1,2-propanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Furanyl)-1,2-propanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.