3-Bromo-4'-(methylthio)biphenyl
TL;DR: 3-Bromo-4'-(methylthio)biphenyl (CAS 844856-40-2) is a chemical compound with molecular formula C13H11BrS and molecular weight 277.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-(4-methylsulfanylphenyl)benzene
Also Known As: 3-Bromo-4'-(methylthio)biphenyl, 1-bromo-3-(4-methylsulfanylphenyl)benzene, (3'-Bromo-[1,1'-biphenyl]-4-yl)(methyl)sulfane, 1-(3-bromophenyl)-4-methylsulfanyl-benzene
| Molecular Formula | C13H11BrS |
|---|---|
| Molecular Weight | 277.98 g/mol |
| LogP | 4.838 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.97647 |
| Heavy Atoms | 15 |
| Complexity | 448.34805 |
Chemical Identifiers
| CAS Number | 844856-40-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=CC(=CC=C2)Br |
Product Overview
3-Bromo-4'-(methylthio)biphenyl (CAS 844856-40-2), with molecular formula C13H11BrS and molecular weight 277.98 g/mol. IUPAC: 1-bromo-3-(4-methylsulfanylphenyl)benzene.
Chemical Property Profile of 3-Bromo-4'-(methylthio)biphenyl
Property Insights of 3-Bromo-4'-(methylthio)biphenyl
The XLogP value of 4.838 indicates that 3-Bromo-4'-(methylthio)biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Bromo-4'-(methylthio)biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4'-(methylthio)biphenyl has 0 hydrogen bond donor(s) and 1 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 3-Bromo-4'-(methylthio)biphenyl?
The CAS number of 3-Bromo-4'-(methylthio)biphenyl is 844856-40-2.
What is the molecular formula of 3-Bromo-4'-(methylthio)biphenyl?
The molecular formula of 3-Bromo-4'-(methylthio)biphenyl is C13H11BrS.
What is the molecular weight of 3-Bromo-4'-(methylthio)biphenyl?
The molecular weight of 3-Bromo-4'-(methylthio)biphenyl is 277.98 g/mol.
Where can I buy 3-Bromo-4'-(methylthio)biphenyl?
You can request a quote for 3-Bromo-4'-(methylthio)biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4'-(methylthio)biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4'-(methylthio)biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.