1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
TL;DR: 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one (CAS 71504-03-5) is a chemical compound with molecular formula C11H11BrOS2 and molecular weight 301.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
Also Known As: 1-(3-bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one, 1-(3-BROMO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE, 1-(3-bromophenyl)-3,3-bis(methylsulfanyl)-2-propen-1-one, m-Brombenzoyl-2,2-bis-methylthio-ethen, 1- -3,3-BIS-METHYLSULFANYL-PROPENONE
| Molecular Formula | C11H11BrOS2 |
|---|---|
| Molecular Weight | 301.94 g/mol |
| LogP | 4.1992 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.94348 |
| Heavy Atoms | 15 |
| Complexity | 381.92923 |
Chemical Identifiers
| CAS Number | 71504-03-5 |
|---|---|
| SMILES | CSC(=CC(=O)C1=CC(=CC=C1)Br)SC |
Product Overview
1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one (CAS 71504-03-5), with molecular formula C11H11BrOS2 and molecular weight 301.94 g/mol. IUPAC: 1-(3-bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one.
Chemical Property Profile of 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
Property Insights of 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
The XLogP value of 4.1992 indicates that 1-(3-Bromophenyl)-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-(3-Bromophenyl)-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-(3-Bromophenyl)-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-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
The CAS number of 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one is 71504-03-5.
What is the molecular formula of 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
The molecular formula of 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one is C11H11BrOS2.
What is the molecular weight of 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
The molecular weight of 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one is 301.94 g/mol.
Where can I buy 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
You can request a quote for 1-(3-Bromophenyl)-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-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.