3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one
TL;DR: 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one (CAS 76542-40-0) is a chemical compound with molecular formula C21H16OS and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-(4-phenylsulfanylphenyl)prop-2-en-1-one
Also Known As: 1-bromo-4-propylsulfanyl-benzene, 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one, 3-phenyl-1-(4-phenylsulfanylphenyl)prop-2-en-1-one, 3-phenyl-1-[4-(phenylsulfanyl)phenyl]prop-2-en-1-one
| Molecular Formula | C21H16OS |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0922 |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 76542-40-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SC3=CC=CC=C3 |
| InChIKey | CJVANMWRURUBSY-UHFFFAOYSA-N |
Product Overview
3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one (CAS 76542-40-0), with molecular formula C21H16OS and molecular weight 316.09 g/mol. IUPAC: 3-phenyl-1-(4-phenylsulfanylphenyl)prop-2-en-1-one.
Chemical Property Profile of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one
Property Insights of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one
The XLogP value of 5.1 indicates that 3-Phenyl-1-(4-(phenylthio)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, 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one?
The CAS number of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one is 76542-40-0.
What is the molecular formula of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one?
The molecular formula of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one is C21H16OS.
What is the molecular weight of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one?
The molecular weight of 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one is 316.09 g/mol.
Where can I buy 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one?
You can request a quote for 3-Phenyl-1-(4-(phenylthio)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 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1-(4-(phenylthio)phenyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.