4'-(beta-Chloroethyl)acetophenone
TL;DR: 4'-(beta-Chloroethyl)acetophenone (CAS 69614-95-5) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-chloroethyl)phenyl]ethanone
Also Known As: 4-(2-chloroethyl)acetophenone, 4'-(beta-Chloroethyl)acetophenone, 1-[4-(2-Chloroethyl)phenyl]ethanone, 1-[4-(2-chloroethyl)phenyl]-1-ethanone, 4'-(2-chloroethyl)acetophenone
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 69614-95-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)CCCl |
| InChIKey | RGVUACHOYCYNMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-(beta-Chloroethyl)acetophenone (CAS 69614-95-5), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 1-[4-(2-chloroethyl)phenyl]ethanone.
Chemical Property Profile of 4'-(beta-Chloroethyl)acetophenone
Property Insights of 4'-(beta-Chloroethyl)acetophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-(beta-Chloroethyl)acetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-(beta-Chloroethyl)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(beta-Chloroethyl)acetophenone 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'-(beta-Chloroethyl)acetophenone?
The CAS number of 4'-(beta-Chloroethyl)acetophenone is 69614-95-5.
What is the molecular formula of 4'-(beta-Chloroethyl)acetophenone?
The molecular formula of 4'-(beta-Chloroethyl)acetophenone is C10H11ClO.
What is the molecular weight of 4'-(beta-Chloroethyl)acetophenone?
The molecular weight of 4'-(beta-Chloroethyl)acetophenone is 182.05 g/mol.
Where can I buy 4'-(beta-Chloroethyl)acetophenone?
You can request a quote for 4'-(beta-Chloroethyl)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(beta-Chloroethyl)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-(beta-Chloroethyl)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.