Benzene, 1-bromo-2-(methylsulfonyl)-
TL;DR: Benzene, 1-bromo-2-(methylsulfonyl)- (CAS 4113-04-6) is a chemical compound with molecular formula C7H7BrO2S and molecular weight 233.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-methylsulfonylbenzene
Also Known As: 2-Bromophenyl methyl sulfone, 1-Bromo-2-(methylsulfonyl)benzene, 1-bromo-2-methanesulfonylbenzene, 1-bromo-2-methylsulfonylbenzene, 2-Bromophenylmethylsulfone
| Molecular Formula | C7H7BrO2S |
|---|---|
| Molecular Weight | 233.94 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.93501 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 4113-04-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC=C1Br |
| InChIKey | KEBPSJRKAZKUKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-bromo-2-(methylsulfonyl)- (CAS 4113-04-6), with molecular formula C7H7BrO2S and molecular weight 233.94 g/mol. IUPAC: 1-bromo-2-methylsulfonylbenzene.
Chemical Property Profile of Benzene, 1-bromo-2-(methylsulfonyl)-
Property Insights of Benzene, 1-bromo-2-(methylsulfonyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-bromo-2-(methylsulfonyl)-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, 1-bromo-2-(methylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-bromo-2-(methylsulfonyl)- 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-2-(methylsulfonyl)-?
The CAS number of Benzene, 1-bromo-2-(methylsulfonyl)- is 4113-04-6.
What is the molecular formula of Benzene, 1-bromo-2-(methylsulfonyl)-?
The molecular formula of Benzene, 1-bromo-2-(methylsulfonyl)- is C7H7BrO2S.
What is the molecular weight of Benzene, 1-bromo-2-(methylsulfonyl)-?
The molecular weight of Benzene, 1-bromo-2-(methylsulfonyl)- is 233.94 g/mol.
Where can I buy Benzene, 1-bromo-2-(methylsulfonyl)-?
You can request a quote for Benzene, 1-bromo-2-(methylsulfonyl)- 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-2-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-bromo-2-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.