1-Bromo-4-(phenylsulfonyl)benzene
TL;DR: 1-Bromo-4-(phenylsulfonyl)benzene (CAS 23038-36-0) is a chemical compound with molecular formula C12H9BrO2S and molecular weight 295.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-bromobenzene
Also Known As: 1-bromo-4-(phenylsulfonyl)benzene, 4-Bromodiphenyl sulfone, p-Bromophenyl phenyl sulfone, 1-(benzenesulfonyl)-4-bromobenzene, Benzene, 1-bromo-4-(phenylsulfonyl)-
| Molecular Formula | C12H9BrO2S |
|---|---|
| Molecular Weight | 295.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.95065 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 23038-36-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | WUQDRRXKNVIWIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-(phenylsulfonyl)benzene (CAS 23038-36-0), with molecular formula C12H9BrO2S and molecular weight 295.95 g/mol. IUPAC: 1-(benzenesulfonyl)-4-bromobenzene.
Chemical Property Profile of 1-Bromo-4-(phenylsulfonyl)benzene
Property Insights of 1-Bromo-4-(phenylsulfonyl)benzene
The XLogP value of 3.2 indicates that 1-Bromo-4-(phenylsulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Bromo-4-(phenylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(phenylsulfonyl)benzene 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 1-Bromo-4-(phenylsulfonyl)benzene?
The CAS number of 1-Bromo-4-(phenylsulfonyl)benzene is 23038-36-0.
What is the molecular formula of 1-Bromo-4-(phenylsulfonyl)benzene?
The molecular formula of 1-Bromo-4-(phenylsulfonyl)benzene is C12H9BrO2S.
What is the molecular weight of 1-Bromo-4-(phenylsulfonyl)benzene?
The molecular weight of 1-Bromo-4-(phenylsulfonyl)benzene is 295.95 g/mol.
Where can I buy 1-Bromo-4-(phenylsulfonyl)benzene?
You can request a quote for 1-Bromo-4-(phenylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(phenylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(phenylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.