4-Chlorobenzalacetophenone
TL;DR: 4-Chlorobenzalacetophenone (CAS 956-04-7) is a chemical compound with molecular formula C15H11ClO and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
Also Known As: 4-Chlorochalcone, 4-chlorobenzalacetophenone, p-Chlorostyryl phenyl ketone, 3-(4-chlorophenyl)-1-phenylprop-2-en-1-one, 2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-
| Molecular Formula | C15H11ClO |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.04984 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 956-04-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl |
| InChIKey | ABGIIXRNMHUKII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzalacetophenone (CAS 956-04-7), with molecular formula C15H11ClO and molecular weight 242.05 g/mol. IUPAC: 3-(4-chlorophenyl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of 4-Chlorobenzalacetophenone
Property Insights of 4-Chlorobenzalacetophenone
The XLogP value of 3.7 indicates that 4-Chlorobenzalacetophenone 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-Chlorobenzalacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzalacetophenone 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-Chlorobenzalacetophenone?
The CAS number of 4-Chlorobenzalacetophenone is 956-04-7.
What is the molecular formula of 4-Chlorobenzalacetophenone?
The molecular formula of 4-Chlorobenzalacetophenone is C15H11ClO.
What is the molecular weight of 4-Chlorobenzalacetophenone?
The molecular weight of 4-Chlorobenzalacetophenone is 242.05 g/mol.
Where can I buy 4-Chlorobenzalacetophenone?
You can request a quote for 4-Chlorobenzalacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzalacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzalacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.