Tiemonium methosulfate
TL;DR: Tiemonium methosulfate (CAS 6504-57-0) is a chemical compound with molecular formula C19H27NO6S2 and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl sulfate
Also Known As: Tiemonium methylsulfate, ottimal, Visceralgine (TN), Tiemonio metilsolfato, Tiemonium methosulfate
| Molecular Formula | C19H27NO6S2 |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 1.9439 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.128 |
| Heavy Atoms | 28 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 6504-57-0 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.COS(=O)(=O)[O-] |
| InChIKey | JPOKDEDHVLJMIJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tiemonium methosulfate (CAS 6504-57-0), with molecular formula C19H27NO6S2 and molecular weight 429.13 g/mol. IUPAC: 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl sulfate.
Chemical Property Profile of Tiemonium methosulfate
Property Insights of Tiemonium methosulfate
The XLogP value of 1.9439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tiemonium methosulfate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiemonium methosulfate. Following Lipinski's Rule of Five, Tiemonium methosulfate has 1 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 Tiemonium methosulfate?
The CAS number of Tiemonium methosulfate is 6504-57-0.
What is the molecular formula of Tiemonium methosulfate?
The molecular formula of Tiemonium methosulfate is C19H27NO6S2.
What is the molecular weight of Tiemonium methosulfate?
The molecular weight of Tiemonium methosulfate is 429.13 g/mol.
Where can I buy Tiemonium methosulfate?
You can request a quote for Tiemonium methosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiemonium methosulfate?
Yes, KEHONG BIO provides custom synthesis services for Tiemonium methosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.