1-(Benzenesulfinyl)-4-bromobenzene
TL;DR: 1-(Benzenesulfinyl)-4-bromobenzene (CAS 29864-18-4) is a chemical compound with molecular formula C12H9BrOS and molecular weight 279.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfinyl)-4-bromobenzene
Also Known As: p-Bromophenyl phenyl sulfoxide, 1-(benzenesulfinyl)-4-bromobenzene, 4-Bromodiphenyl sulfoxide, Sulfoxide, p-bromophenyl phenyl, Phenyl4-bromophenylsulfoxide
| Molecular Formula | C12H9BrOS |
|---|---|
| Molecular Weight | 279.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.95575 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 29864-18-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)Br |
| InChIKey | ZTRXUNUYTUUDRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzenesulfinyl)-4-bromobenzene (CAS 29864-18-4), with molecular formula C12H9BrOS and molecular weight 279.96 g/mol. IUPAC: 1-(benzenesulfinyl)-4-bromobenzene.
Chemical Property Profile of 1-(Benzenesulfinyl)-4-bromobenzene
Property Insights of 1-(Benzenesulfinyl)-4-bromobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfinyl)-4-bromobenzene. With a topological polar surface area (TPSA) of 36.3 Ų, 1-(Benzenesulfinyl)-4-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzenesulfinyl)-4-bromobenzene 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-(Benzenesulfinyl)-4-bromobenzene?
The CAS number of 1-(Benzenesulfinyl)-4-bromobenzene is 29864-18-4.
What is the molecular formula of 1-(Benzenesulfinyl)-4-bromobenzene?
The molecular formula of 1-(Benzenesulfinyl)-4-bromobenzene is C12H9BrOS.
What is the molecular weight of 1-(Benzenesulfinyl)-4-bromobenzene?
The molecular weight of 1-(Benzenesulfinyl)-4-bromobenzene is 279.96 g/mol.
Where can I buy 1-(Benzenesulfinyl)-4-bromobenzene?
You can request a quote for 1-(Benzenesulfinyl)-4-bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfinyl)-4-bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfinyl)-4-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.