Suplatast
TL;DR: Suplatast (CAS 94055-75-1) is a chemical compound with molecular formula C16H26NO4S+ and molecular weight 328.16 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
Also Known As: Suplatast, Suplatast ion, Suplatast cation, Suplatast tosylate, Suplatast Tosilate
| Molecular Formula | C16H26NO4S+ |
|---|---|
| Molecular Weight | 328.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.15826 |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 94055-75-1 |
|---|---|
| SMILES | CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O |
| InChIKey | DYZJXZOQQRXDLE-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Suplatast (CAS 94055-75-1), with molecular formula C16H26NO4S+ and molecular weight 328.16 g/mol. IUPAC: [3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium.
Chemical Property Profile of Suplatast
Property Insights of Suplatast
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Suplatast. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Suplatast. Following Lipinski's Rule of Five, Suplatast has 2 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 Suplatast?
The CAS number of Suplatast is 94055-75-1.
What is the molecular formula of Suplatast?
The molecular formula of Suplatast is C16H26NO4S+.
What is the molecular weight of Suplatast?
The molecular weight of Suplatast is 328.16 g/mol.
Where can I buy Suplatast?
You can request a quote for Suplatast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Suplatast?
Yes, KEHONG BIO provides custom synthesis services for Suplatast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.