4-Bromo-1-(4-chlorophenyl)butan-1-one
TL;DR: 4-Bromo-1-(4-chlorophenyl)butan-1-one (CAS 156092-12-5) is a chemical compound with molecular formula C10H10BrClO and molecular weight 259.96036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1-(4-chlorophenyl)butan-1-one
Also Known As: 4-bromo-1-(4-chlorophenyl)butan-1-one, 4-Bromo-4'-chlorobutyrophenone, 1-Butanone, 4-bromo-1-(4-chlorophenyl)-, 4-Bromo-1-(4-chlorophenyl)-1-butanone #
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10BrClO |
| Molecular Weight | 259.96036 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.96036 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | C1=CC(=CC=C1C(=O)CCCBr)Cl |
| InChIKey | VQZCACGMEDIQKK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-1-(4-chlorophenyl)butan-1-one
Property Insights of 4-Bromo-1-(4-chlorophenyl)butan-1-one
The XLogP value of 3.3 indicates that 4-Bromo-1-(4-chlorophenyl)butan-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, 4-Bromo-1-(4-chlorophenyl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-(4-chlorophenyl)butan-1-one has 0 hydrogen bond donor(s) and 1 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-(4-chlorophenyl)butan-1-one?
The CAS number of 4-Bromo-1-(4-chlorophenyl)butan-1-one is 156092-12-5.
What is the molecular formula of 4-Bromo-1-(4-chlorophenyl)butan-1-one?
The molecular formula of 4-Bromo-1-(4-chlorophenyl)butan-1-one is C10H10BrClO.
What is the molecular weight of 4-Bromo-1-(4-chlorophenyl)butan-1-one?
The molecular weight of 4-Bromo-1-(4-chlorophenyl)butan-1-one is 259.96036 g/mol.
Where can I buy 4-Bromo-1-(4-chlorophenyl)butan-1-one?
You can request a quote for 4-Bromo-1-(4-chlorophenyl)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-(4-chlorophenyl)butan-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-1-(4-chlorophenyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.