Suplatast Tosilate
TL;DR: Suplatast Tosilate (CAS 94055-76-2) is a chemical compound with molecular formula C23H33NO7S2 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium;4-methylbenzenesulfonate
Also Known As: Suplatast Tosilate, Suplatast tosylate, Suplatast (Tosilate), Suplatasttosilate, Suplatast
| Molecular Formula | C23H33NO7S2 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 2.57 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.16983 |
| Heavy Atoms | 33 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 94055-76-2 |
|---|---|
| SMILES | CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | RYVJQEZJUFRANT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Suplatast Tosilate (CAS 94055-76-2), with molecular formula C23H33NO7S2 and molecular weight 499.17 g/mol. IUPAC: [3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium;4-methylbenzenesulfonate.
Chemical Property Profile of Suplatast Tosilate
Property Insights of Suplatast Tosilate
The XLogP value of 2.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Suplatast Tosilate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Suplatast Tosilate. Following Lipinski's Rule of Five, Suplatast Tosilate has 2 hydrogen bond donor(s) and 7 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 Suplatast Tosilate?
The CAS number of Suplatast Tosilate is 94055-76-2.
What is the molecular formula of Suplatast Tosilate?
The molecular formula of Suplatast Tosilate is C23H33NO7S2.
What is the molecular weight of Suplatast Tosilate?
The molecular weight of Suplatast Tosilate is 499.17 g/mol.
Where can I buy Suplatast Tosilate?
You can request a quote for Suplatast Tosilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Suplatast Tosilate?
Yes, KEHONG BIO provides custom synthesis services for Suplatast Tosilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.