Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-
TL;DR: Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- (CAS 76842-45-0) is a chemical compound with molecular formula C9H9BrO2S and molecular weight 259.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[(E)-2-methylsulfonylethenyl]benzene
Also Known As: Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-, Methyl 2-(4-bromophenyl)ethenyl sulfone, 1-bromo-4-(2-methanesulfonylethenyl)benzene, 1-Bromo-4-(2-methanesulfonyl-vinyl)-benzene, J3.482.766D
| Molecular Formula | C9H9BrO2S |
|---|---|
| Molecular Weight | 259.95 g/mol |
| LogP | 2.4644 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.95065 |
| Heavy Atoms | 13 |
| Complexity | 403.74576 |
Chemical Identifiers
| CAS Number | 76842-45-0 |
|---|---|
| SMILES | CS(=O)(=O)/C=C/C1=CC=C(C=C1)Br |
Product Overview
Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- (CAS 76842-45-0), with molecular formula C9H9BrO2S and molecular weight 259.95 g/mol. IUPAC: 1-bromo-4-[(E)-2-methylsulfonylethenyl]benzene.
Chemical Property Profile of Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-
Property Insights of Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-
The XLogP value of 2.4644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-. With a topological polar surface area (TPSA) of 34.14 Ų, Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- 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 Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-?
The CAS number of Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- is 76842-45-0.
What is the molecular formula of Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-?
The molecular formula of Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- is C9H9BrO2S.
What is the molecular weight of Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-?
The molecular weight of Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- is 259.95 g/mol.
Where can I buy Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-?
You can request a quote for Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-bromo-4-(2-(methylsulfonyl)ethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.