![1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one structure](/static/products/5707/57077-22-2.webp)
1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one
TL;DR: 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one (CAS 57077-22-2) is a chemical compound with molecular formula C16H13ClOS and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
Also Known As: 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one, 1-(4-chlorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one
| Molecular Formula | C16H13ClOS |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.03757 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 57077-22-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | MGQPGLJXWRORLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one (CAS 57077-22-2), with molecular formula C16H13ClOS and molecular weight 288.04 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one
Property Insights of 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one
The XLogP value of 4.2 indicates that 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one has 0 hydrogen bond donor(s) and 2 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-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one?
The CAS number of 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one is 57077-22-2.
What is the molecular formula of 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one?
The molecular formula of 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one is C16H13ClOS.
What is the molecular weight of 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one?
The molecular weight of 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one is 288.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one?
You can request a quote for 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.