p-Bromobenzenesulfonyl chloride
TL;DR: p-Bromobenzenesulfonyl chloride (CAS 98-58-8) is a chemical compound with molecular formula C6H4BrClO2S and molecular weight 253.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobenzenesulfonyl chloride
Also Known As: 4-Bromobenzenesulfonyl chloride, p-Bromobenzenesulfonyl chloride, 4-bromobenzene-1-sulfonyl chloride, null, brosyl chloride
| Molecular Formula | C6H4BrClO2S |
|---|---|
| Molecular Weight | 253.88 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.88039 |
| Heavy Atoms | 11 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 98-58-8 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)Cl)Br |
| InChIKey | KMMHZIBWCXYAAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Bromobenzenesulfonyl chloride (CAS 98-58-8), with molecular formula C6H4BrClO2S and molecular weight 253.88 g/mol. IUPAC: 4-bromobenzenesulfonyl chloride.
Chemical Property Profile of p-Bromobenzenesulfonyl chloride
Property Insights of p-Bromobenzenesulfonyl chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Bromobenzenesulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, p-Bromobenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromobenzenesulfonyl chloride 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 p-Bromobenzenesulfonyl chloride?
The CAS number of p-Bromobenzenesulfonyl chloride is 98-58-8.
What is the molecular formula of p-Bromobenzenesulfonyl chloride?
The molecular formula of p-Bromobenzenesulfonyl chloride is C6H4BrClO2S.
What is the molecular weight of p-Bromobenzenesulfonyl chloride?
The molecular weight of p-Bromobenzenesulfonyl chloride is 253.88 g/mol.
Where can I buy p-Bromobenzenesulfonyl chloride?
You can request a quote for p-Bromobenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Bromobenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for p-Bromobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.