2-bromobenzenesulfonic Acid
TL;DR: 2-bromobenzenesulfonic Acid (CAS 576-92-1) 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.
2-bromobenzenesulfonic acid
Also Known As: 2-bromobenzenesulfonic Acid, null, 2-Bromo-benzenesulfonic acid, bromobenzenesulfonic acid, bromobenzene-2-sulfonic acid
| Molecular Formula | C6H5BrO3S |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 1.4 |
| 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 | 218.0 |
Chemical Identifiers
| CAS Number | 576-92-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)S(=O)(=O)O)Br |
| InChIKey | JUSXLWAFYVKNLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-bromobenzenesulfonic Acid (CAS 576-92-1), with molecular formula C6H5BrO3S and molecular weight 235.91 g/mol. IUPAC: 2-bromobenzenesulfonic acid.
Chemical Property Profile of 2-bromobenzenesulfonic Acid
Property Insights of 2-bromobenzenesulfonic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromobenzenesulfonic Acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromobenzenesulfonic Acid. Following Lipinski's Rule of Five, 2-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 2-bromobenzenesulfonic Acid?
The CAS number of 2-bromobenzenesulfonic Acid is 576-92-1.
What is the molecular formula of 2-bromobenzenesulfonic Acid?
The molecular formula of 2-bromobenzenesulfonic Acid is C6H5BrO3S.
What is the molecular weight of 2-bromobenzenesulfonic Acid?
The molecular weight of 2-bromobenzenesulfonic Acid is 235.91 g/mol.
Where can I buy 2-bromobenzenesulfonic Acid?
You can request a quote for 2-bromobenzenesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromobenzenesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-bromobenzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.