![2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- structure](/static/products/5710/57106-44-2.webp)
2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-
TL;DR: 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- (CAS 57106-44-2) is a chemical compound with molecular formula C16H13BrOS and molecular weight 331.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
Also Known As: 9H-Fluoren-2-amine,N,N-dimethyl-3-nitro, 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-, 3-(4-bromophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one, 3-(4-BROMOPHENYL)-1-[4-(METHYLSULFANYL)PHENYL]PROP-2-EN-1-ONE
| Molecular Formula | C16H13BrOS |
|---|---|
| Molecular Weight | 331.99 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.98706 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 57106-44-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br |
| InChIKey | NBCGUIAAUUHYHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- (CAS 57106-44-2), with molecular formula C16H13BrOS and molecular weight 331.99 g/mol. IUPAC: 3-(4-bromophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-
Property Insights of 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-
The XLogP value of 4.3 indicates that 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- 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 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-?
The CAS number of 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- is 57106-44-2.
What is the molecular formula of 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-?
The molecular formula of 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- is C16H13BrOS.
What is the molecular weight of 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-?
The molecular weight of 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- is 331.99 g/mol.
Where can I buy 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-?
You can request a quote for 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(methylthio)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.