Chlorfenson
TL;DR: Chlorfenson (CAS 80-33-1) is a chemical compound with molecular formula C12H8Cl2O3S and molecular weight 301.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 4-chlorobenzenesulfonate
Also Known As: Chlorfenson, Ovex, Orthotran, Difenson, Ovochlor
| Molecular Formula | C12H8Cl2O3S |
|---|---|
| Molecular Weight | 301.96 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.95712 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| Melting Point | 86.5 °C |
| Solubility | PRACTICALLY INSOL IN WATER; SOL @ 25 °C IN G/100 ML: 1.4 G IN 95% ALCOHOL; 41.0 G IN CARBON TETRACHLORIDE; 110.0 G IN CYCLOHEXANONE; 110.0 G IN ETHYLENE DICHLORIDE; 2.0-2.7 G IN PETROLEUM OILS; 130.0 G IN ACETONE; 78 G IN XYLENE |
| Vapor Pressure | 0.00000188 [mmHg] |
Chemical Identifiers
| CAS Number | 80-33-1 |
|---|---|
| SMILES | C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl |
| InChIKey | RZXLPPRPEOUENN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorfenson (CAS 80-33-1), with molecular formula C12H8Cl2O3S and molecular weight 301.96 g/mol. IUPAC: (4-chlorophenyl) 4-chlorobenzenesulfonate.
Chemical Property Profile of Chlorfenson
Property Insights of Chlorfenson
The XLogP value of 4.3 indicates that Chlorfenson is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Chlorfenson exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorfenson has 0 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 Chlorfenson?
The CAS number of Chlorfenson is 80-33-1.
What is the molecular formula of Chlorfenson?
The molecular formula of Chlorfenson is C12H8Cl2O3S.
What is the molecular weight of Chlorfenson?
The molecular weight of Chlorfenson is 301.96 g/mol.
Where can I buy Chlorfenson?
You can request a quote for Chlorfenson directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorfenson?
Yes, KEHONG BIO provides custom synthesis services for Chlorfenson and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.