Hexasonium
TL;DR: Hexasonium (CAS 25330-82-9) is a chemical compound with molecular formula C18H27O2S+ and molecular weight 307.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-dimethylsulfanium
Also Known As: Hexasonium, Hexasonium ion, Hexasonium cation, Thiospasmin, Thiospasmine
| Molecular Formula | C18H27O2S+ |
|---|---|
| Molecular Weight | 307.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.1732 |
| Heavy Atoms | 21 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 25330-82-9 |
|---|---|
| SMILES | C[S+](C)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2 |
| InChIKey | NRZPIZQZOQMVFZ-UHFFFAOYSA-N |
Product Overview
Hexasonium (CAS 25330-82-9), with molecular formula C18H27O2S+ and molecular weight 307.17 g/mol. IUPAC: 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-dimethylsulfanium.
Chemical Property Profile of Hexasonium
Property Insights of Hexasonium
The XLogP value of 5.2 indicates that Hexasonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Hexasonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexasonium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexasonium?
The CAS number of Hexasonium is 25330-82-9.
What is the molecular formula of Hexasonium?
The molecular formula of Hexasonium is C18H27O2S+.
What is the molecular weight of Hexasonium?
The molecular weight of Hexasonium is 307.17 g/mol.
Where can I buy Hexasonium?
You can request a quote for Hexasonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexasonium?
Yes, KEHONG BIO provides custom synthesis services for Hexasonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.