Santonox
TL;DR: Santonox (CAS 96-69-5) is a chemical compound with molecular formula C22H30O2S and molecular weight 358.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
Also Known As: Santox, Sumilizer WX, Santonox BM, Yoshinox SR, Thioalkofen MBCh
| Molecular Formula | C22H30O2S |
|---|---|
| Molecular Weight | 358.20 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.19666 |
| Heavy Atoms | 25 |
| Complexity | 396.0 |
| Melting Point | 150.0 °C |
| Density | 1.1 at 25.0 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 215.6 °C |
| Vapor Pressure | 6.3e-07 mmHg at 70.0 °C |
Chemical Identifiers
| CAS Number | 96-69-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O |
| InChIKey | HXIQYSLFEXIOAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Santonox (CAS 96-69-5), with molecular formula C22H30O2S and molecular weight 358.20 g/mol. IUPAC: 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol.
Chemical Property Profile of Santonox
Property Insights of Santonox
The XLogP value of 7.4 indicates that Santonox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Santonox. Following Lipinski's Rule of Five, Santonox has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Santonox?
The CAS number of Santonox is 96-69-5.
What is the molecular formula of Santonox?
The molecular formula of Santonox is C22H30O2S.
What is the molecular weight of Santonox?
The molecular weight of Santonox is 358.20 g/mol.
Where can I buy Santonox?
You can request a quote for Santonox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Santonox?
Yes, KEHONG BIO provides custom synthesis services for Santonox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.