4'-Bromo-4-chlorobutyrophenone
TL;DR: 4'-Bromo-4-chlorobutyrophenone (CAS 4559-96-0) is a chemical compound with molecular formula C10H10BrClO and molecular weight 259.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-4-chlorobutan-1-one
Also Known As: 1-(4-bromophenyl)-4-chlorobutan-1-one, 4'-Bromo-4-chlorobutyrophenone, 2-(Methylthio)thiazole, p-Bromo-g-chlorobutyrophenone, 1-(4-Bromophenyl)-4-chloro-1-butanone
| Molecular Formula | C10H10BrClO |
|---|---|
| Molecular Weight | 259.96 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.96036 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 4559-96-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCCCl)Br |
| InChIKey | WJKPUMBLABGUCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Bromo-4-chlorobutyrophenone (CAS 4559-96-0), with molecular formula C10H10BrClO and molecular weight 259.96 g/mol. IUPAC: 1-(4-bromophenyl)-4-chlorobutan-1-one.
Chemical Property Profile of 4'-Bromo-4-chlorobutyrophenone
Property Insights of 4'-Bromo-4-chlorobutyrophenone
The XLogP value of 3.2 indicates that 4'-Bromo-4-chlorobutyrophenone 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-4-chlorobutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Bromo-4-chlorobutyrophenone 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
Frequently Asked Questions
What is the CAS number of 4'-Bromo-4-chlorobutyrophenone?
The CAS number of 4'-Bromo-4-chlorobutyrophenone is 4559-96-0.
What is the molecular formula of 4'-Bromo-4-chlorobutyrophenone?
The molecular formula of 4'-Bromo-4-chlorobutyrophenone is C10H10BrClO.
What is the molecular weight of 4'-Bromo-4-chlorobutyrophenone?
The molecular weight of 4'-Bromo-4-chlorobutyrophenone is 259.96 g/mol.
Where can I buy 4'-Bromo-4-chlorobutyrophenone?
You can request a quote for 4'-Bromo-4-chlorobutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Bromo-4-chlorobutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Bromo-4-chlorobutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.