4-Bromo-1-(furan-2-yl)butan-1-one
TL;DR: 4-Bromo-1-(furan-2-yl)butan-1-one (CAS 149412-50-0) is a chemical compound with molecular formula C8H9BrO2 and molecular weight 215.97859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1-(furan-2-yl)butan-1-one
Also Known As: 1-(2-furanyl)-4-bromo-1-butanone, 4-bromo-1-(2-furyl)butan-1-one, 4-bromo-1-(furan-2-yl)butan-1-one
Technical Specifications
| Molecular Formula | C8H9BrO2 |
| Molecular Weight | 215.97859 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.97859 Da |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| SMILES | C1=COC(=C1)C(=O)CCCBr |
| InChIKey | WJGFUIZHRAOEAU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-1-(furan-2-yl)butan-1-one
Property Insights of 4-Bromo-1-(furan-2-yl)butan-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-(furan-2-yl)butan-1-one. With a topological polar surface area (TPSA) of 30.2 Ų, 4-Bromo-1-(furan-2-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-(furan-2-yl)butan-1-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
What is the CAS number of 4-Bromo-1-(furan-2-yl)butan-1-one?
The CAS number of 4-Bromo-1-(furan-2-yl)butan-1-one is 149412-50-0.
What is the molecular formula of 4-Bromo-1-(furan-2-yl)butan-1-one?
The molecular formula of 4-Bromo-1-(furan-2-yl)butan-1-one is C8H9BrO2.
What is the molecular weight of 4-Bromo-1-(furan-2-yl)butan-1-one?
The molecular weight of 4-Bromo-1-(furan-2-yl)butan-1-one is 215.97859 g/mol.
Where can I buy 4-Bromo-1-(furan-2-yl)butan-1-one?
You can request a quote for 4-Bromo-1-(furan-2-yl)butan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-1-(furan-2-yl)butan-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-1-(furan-2-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.