1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
TL;DR: 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one (CAS 552298-97-2) is a chemical compound with molecular formula C11H11FOS2 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
Also Known As: Maybridge3_001683, 1-(2-fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one, IDI1_013070, 1-(2-Fluoro-phenyl)-3,3-bis-methylslfanyl-propenone, 1-(2-fluorophenyl)-3,3-bis(methylthio)prop-2-en-1-one
| Molecular Formula | C11H11FOS2 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 3.5758 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.02353 |
| Heavy Atoms | 15 |
| Complexity | 381.92923 |
Chemical Identifiers
| CAS Number | 552298-97-2 |
|---|---|
| SMILES | CSC(=CC(=O)C1=CC=CC=C1F)SC |
Product Overview
1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one (CAS 552298-97-2), with molecular formula C11H11FOS2 and molecular weight 242.02 g/mol. IUPAC: 1-(2-fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one.
Chemical Property Profile of 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
Property Insights of 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
The XLogP value of 3.5758 indicates that 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 3 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-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
The CAS number of 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one is 552298-97-2.
What is the molecular formula of 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
The molecular formula of 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one is C11H11FOS2.
What is the molecular weight of 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
The molecular weight of 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one is 242.02 g/mol.
Where can I buy 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
You can request a quote for 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-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-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.