2-(5-Methylfuran-2-yl)butanal
TL;DR: 2-(5-Methylfuran-2-yl)butanal (CAS 123821-11-4) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-methylfuran-2-yl)butanal
Also Known As: 2-(5-methylfuran-2-yl)butanal, FEMA No. 3307, 3-(5-Methyl-2-furyl)butyraldehyde
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.08372 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.08372 Da |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| SMILES | CCC(C=O)C1=CC=C(O1)C |
| InChIKey | PFLUFBMKOXFWSD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-Methylfuran-2-yl)butanal
Property Insights of 2-(5-Methylfuran-2-yl)butanal
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methylfuran-2-yl)butanal. With a topological polar surface area (TPSA) of 30.2 Ų, 2-(5-Methylfuran-2-yl)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Methylfuran-2-yl)butanal 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
What is the CAS number of 2-(5-Methylfuran-2-yl)butanal?
The CAS number of 2-(5-Methylfuran-2-yl)butanal is 123821-11-4.
What is the molecular formula of 2-(5-Methylfuran-2-yl)butanal?
The molecular formula of 2-(5-Methylfuran-2-yl)butanal is C9H12O2.
What is the molecular weight of 2-(5-Methylfuran-2-yl)butanal?
The molecular weight of 2-(5-Methylfuran-2-yl)butanal is 152.08372 g/mol.
Where can I buy 2-(5-Methylfuran-2-yl)butanal?
You can request a quote for 2-(5-Methylfuran-2-yl)butanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-Methylfuran-2-yl)butanal?
Yes, CoreyChem provides custom synthesis services for 2-(5-Methylfuran-2-yl)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.