5-Bromo-1-(4-fluorophenyl)pentan-1-one
TL;DR: 5-Bromo-1-(4-fluorophenyl)pentan-1-one (CAS 149412-51-1) is a chemical compound with molecular formula C11H12BrFO and molecular weight 258.00555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1-(4-fluorophenyl)pentan-1-one
Also Known As: 5-bromo-1-(4-fluorophenyl)pentan-1-one, 1-Pentanone, 5-bromo-1-(4-fluorophenyl)-
Technical Specifications
| Molecular Formula | C11H12BrFO |
| Molecular Weight | 258.00555 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.00555 Da |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
| SMILES | C1=CC(=CC=C1C(=O)CCCCBr)F |
| InChIKey | UFXLTBGCOJOHIL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-1-(4-fluorophenyl)pentan-1-one
Property Insights of 5-Bromo-1-(4-fluorophenyl)pentan-1-one
The XLogP value of 3.1 indicates that 5-Bromo-1-(4-fluorophenyl)pentan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Bromo-1-(4-fluorophenyl)pentan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1-(4-fluorophenyl)pentan-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 5-Bromo-1-(4-fluorophenyl)pentan-1-one?
The CAS number of 5-Bromo-1-(4-fluorophenyl)pentan-1-one is 149412-51-1.
What is the molecular formula of 5-Bromo-1-(4-fluorophenyl)pentan-1-one?
The molecular formula of 5-Bromo-1-(4-fluorophenyl)pentan-1-one is C11H12BrFO.
What is the molecular weight of 5-Bromo-1-(4-fluorophenyl)pentan-1-one?
The molecular weight of 5-Bromo-1-(4-fluorophenyl)pentan-1-one is 258.00555 g/mol.
Where can I buy 5-Bromo-1-(4-fluorophenyl)pentan-1-one?
You can request a quote for 5-Bromo-1-(4-fluorophenyl)pentan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-1-(4-fluorophenyl)pentan-1-one?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-1-(4-fluorophenyl)pentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.