Sulfoxone
TL;DR: Sulfoxone (CAS 144-76-3) is a chemical compound with molecular formula C14H16N2O6S3 and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(sulfinomethylamino)phenyl]sulfonylanilino]methanesulfinic acid
Also Known As: sulfoxone, Aldesulfone, Aldesulphone, Sodium sulfoxone, Aldapsone
| Molecular Formula | C14H16N2O6S3 |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.01706 |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
| Solubility | 2.63e+00 g/L |
Chemical Identifiers
| CAS Number | 144-76-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NCS(=O)O)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)O |
| InChIKey | NEDPPCHNEOMTJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfoxone (CAS 144-76-3), with molecular formula C14H16N2O6S3 and molecular weight 404.02 g/mol. IUPAC: [4-[4-(sulfinomethylamino)phenyl]sulfonylanilino]methanesulfinic acid.
Chemical Property Profile of Sulfoxone
Property Insights of Sulfoxone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfoxone. The TPSA of 180.0 Ų indicates high polarity, suggesting Sulfoxone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfoxone has 4 hydrogen bond donor(s) and 10 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 Sulfoxone?
The CAS number of Sulfoxone is 144-76-3.
What is the molecular formula of Sulfoxone?
The molecular formula of Sulfoxone is C14H16N2O6S3.
What is the molecular weight of Sulfoxone?
The molecular weight of Sulfoxone is 404.02 g/mol.
Where can I buy Sulfoxone?
You can request a quote for Sulfoxone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfoxone?
Yes, KEHONG BIO provides custom synthesis services for Sulfoxone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.