Sodium 4-fluorobenzene sulfinate
TL;DR: Sodium 4-fluorobenzene sulfinate (CAS 824-80-6) is a chemical compound with molecular formula C6H5FO2S and molecular weight 160.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobenzenesulfinic acid
Also Known As: 4-fluorobenzenesulfinic acid, 4-Fluorobenzene-1-sulfinic acid, 4-Fluoro-benzenesulfinic acid, Sodium 4-fluorobenzene sulfinate, 4-Fluorobenzene-1-sulfinicacid
| Molecular Formula | C6H5FO2S |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.99944 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 824-80-6 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)O |
| InChIKey | SEEUPVOHHNMWEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 4-fluorobenzene sulfinate (CAS 824-80-6), with molecular formula C6H5FO2S and molecular weight 160.00 g/mol. IUPAC: 4-fluorobenzenesulfinic acid.
Chemical Property Profile of Sodium 4-fluorobenzene sulfinate
Property Insights of Sodium 4-fluorobenzene sulfinate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium 4-fluorobenzene sulfinate. With a topological polar surface area (TPSA) of 56.5 Ų, Sodium 4-fluorobenzene sulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 4-fluorobenzene sulfinate has 1 hydrogen bond donor(s) and 4 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 Sodium 4-fluorobenzene sulfinate?
The CAS number of Sodium 4-fluorobenzene sulfinate is 824-80-6.
What is the molecular formula of Sodium 4-fluorobenzene sulfinate?
The molecular formula of Sodium 4-fluorobenzene sulfinate is C6H5FO2S.
What is the molecular weight of Sodium 4-fluorobenzene sulfinate?
The molecular weight of Sodium 4-fluorobenzene sulfinate is 160.00 g/mol.
Where can I buy Sodium 4-fluorobenzene sulfinate?
You can request a quote for Sodium 4-fluorobenzene sulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-fluorobenzene sulfinate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-fluorobenzene sulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.