1-(4-(2-Bromoethyl)phenyl)ethanone
TL;DR: 1-(4-(2-Bromoethyl)phenyl)ethanone (CAS 40422-73-9) is a chemical compound with molecular formula C10H11BrO and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-bromoethyl)phenyl]ethanone
Also Known As: 4-(2-Bromoethyl)-Acetophenone, 1-(4-(2-BROMOETHYL)PHENYL)ETHANONE, 1-[4-(2-bromoethyl)phenyl]ethanone, 4'-(2-Bromoethyl)acetophenone, 4'-Bromoethylacetophenone
| Molecular Formula | C10H11BrO |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.99933 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 40422-73-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)CCBr |
| InChIKey | SCBYPRYCSIVASE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-(2-Bromoethyl)phenyl)ethanone (CAS 40422-73-9), with molecular formula C10H11BrO and molecular weight 226.00 g/mol. IUPAC: 1-[4-(2-bromoethyl)phenyl]ethanone.
Chemical Property Profile of 1-(4-(2-Bromoethyl)phenyl)ethanone
Property Insights of 1-(4-(2-Bromoethyl)phenyl)ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(2-Bromoethyl)phenyl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-(2-Bromoethyl)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(2-Bromoethyl)phenyl)ethanone 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 1-(4-(2-Bromoethyl)phenyl)ethanone?
The CAS number of 1-(4-(2-Bromoethyl)phenyl)ethanone is 40422-73-9.
What is the molecular formula of 1-(4-(2-Bromoethyl)phenyl)ethanone?
The molecular formula of 1-(4-(2-Bromoethyl)phenyl)ethanone is C10H11BrO.
What is the molecular weight of 1-(4-(2-Bromoethyl)phenyl)ethanone?
The molecular weight of 1-(4-(2-Bromoethyl)phenyl)ethanone is 226.00 g/mol.
Where can I buy 1-(4-(2-Bromoethyl)phenyl)ethanone?
You can request a quote for 1-(4-(2-Bromoethyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(2-Bromoethyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(2-Bromoethyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.