Oxysonium iodide
TL;DR: Oxysonium iodide (CAS 3569-58-2) is a chemical compound with molecular formula C18H27IO3S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-dimethylsulfanium iodide
Also Known As: Oxysonium iodide, Oxysonii iodidum, Iodure d'oxysonium, Ioduro de oxisonio, Hydroxythiospasmin
| Molecular Formula | C18H27IO3S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 47.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.07257 |
| Heavy Atoms | 23 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 3569-58-2 |
|---|---|
| SMILES | C[S+](C)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-] |
| InChIKey | VYPBGKRNPCAKRH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxysonium iodide (CAS 3569-58-2), with molecular formula C18H27IO3S and molecular weight 450.07 g/mol. IUPAC: 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-dimethylsulfanium iodide.
Chemical Property Profile of Oxysonium iodide
Property Insights of Oxysonium iodide
The XLogP value of -0.12 indicates that Oxysonium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.5 Ų, Oxysonium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxysonium iodide has 1 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 Oxysonium iodide?
The CAS number of Oxysonium iodide is 3569-58-2.
What is the molecular formula of Oxysonium iodide?
The molecular formula of Oxysonium iodide is C18H27IO3S.
What is the molecular weight of Oxysonium iodide?
The molecular weight of Oxysonium iodide is 450.07 g/mol.
Where can I buy Oxysonium iodide?
You can request a quote for Oxysonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxysonium iodide?
Yes, KEHONG BIO provides custom synthesis services for Oxysonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.