4-Bromobenzenesulfonic acid
TL;DR: 4-Bromobenzenesulfonic acid (CAS 138-36-3) is a chemical compound with molecular formula C6H5BrO3S and molecular weight 235.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobenzenesulfonic acid
Also Known As: 4-bromobenzenesulfonic acid, Benzenesulfonic acid, 4-bromo-, p-bromobenzenesulfonic acid, 4-Bromo-benzenesulfonic acid, 4-bromobenzene-1-sulfonic acid
| Molecular Formula | C6H5BrO3S |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.91428 |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 138-36-3 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)O)Br |
| InChIKey | PXACTUVBBMDKRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromobenzenesulfonic acid (CAS 138-36-3), with molecular formula C6H5BrO3S and molecular weight 235.91 g/mol. IUPAC: 4-bromobenzenesulfonic acid.
Chemical Property Profile of 4-Bromobenzenesulfonic acid
Property Insights of 4-Bromobenzenesulfonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromobenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Bromobenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 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 4-Bromobenzenesulfonic acid?
The CAS number of 4-Bromobenzenesulfonic acid is 138-36-3.
What is the molecular formula of 4-Bromobenzenesulfonic acid?
The molecular formula of 4-Bromobenzenesulfonic acid is C6H5BrO3S.
What is the molecular weight of 4-Bromobenzenesulfonic acid?
The molecular weight of 4-Bromobenzenesulfonic acid is 235.91 g/mol.
Where can I buy 4-Bromobenzenesulfonic acid?
You can request a quote for 4-Bromobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.