Benzal-3', 4'-dichloroacetophenone
TL;DR: Benzal-3', 4'-dichloroacetophenone (CAS 59826-47-0) is a chemical compound with molecular formula C15H10Cl2O and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-one
Also Known As: Benzal-3', 4'-dichloroacetophenone, 1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-one, (2E)-1-(3,4-Dichlorophenyl)-3-phenylprop-2-en-1-one, 1-(3,4-Dichlorophenyl)-3-phenylpropan-1-one, 2-Propen-1-one, 1-(3,4-dichlorophenyl)-3-phenyl-, (2E)-
| Molecular Formula | C15H10Cl2O |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.01086 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 59826-47-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | APDLDPJVXCOGTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzal-3', 4'-dichloroacetophenone (CAS 59826-47-0), with molecular formula C15H10Cl2O and molecular weight 276.01 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-one.
Chemical Property Profile of Benzal-3', 4'-dichloroacetophenone
Property Insights of Benzal-3', 4'-dichloroacetophenone
The XLogP value of 4.9 indicates that Benzal-3', 4'-dichloroacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Benzal-3', 4'-dichloroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzal-3', 4'-dichloroacetophenone 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 Benzal-3', 4'-dichloroacetophenone?
The CAS number of Benzal-3', 4'-dichloroacetophenone is 59826-47-0.
What is the molecular formula of Benzal-3', 4'-dichloroacetophenone?
The molecular formula of Benzal-3', 4'-dichloroacetophenone is C15H10Cl2O.
What is the molecular weight of Benzal-3', 4'-dichloroacetophenone?
The molecular weight of Benzal-3', 4'-dichloroacetophenone is 276.01 g/mol.
Where can I buy Benzal-3', 4'-dichloroacetophenone?
You can request a quote for Benzal-3', 4'-dichloroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzal-3', 4'-dichloroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for Benzal-3', 4'-dichloroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.