1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride
TL;DR: 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride (CAS 63992-18-7) is a chemical compound with molecular formula C16H34Cl2N2S and molecular weight 356.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-(2-ethyl-1-methylpiperidin-1-ium-1-yl)sulfanyl-1-methylpiperidin-1-ium dichloride
Also Known As: 1,1'-Thiodiethylenebis(1-methylpiperidinium) dichloride, 1,1'-sulfanediylbis(2-ethyl-1-methylpiperidinium) dichloride, Piperidinium, 1,1'-thiodiethylenebis(1-methyl-, dichloride, 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride, Piperidinium, 1,1'-(thiodi-2,1-ethanediyl)bis[1-methyl-, dichloride
| Molecular Formula | C16H34Cl2N2S |
|---|---|
| Molecular Weight | 356.18 g/mol |
| LogP | -1.62 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.18198 |
| Heavy Atoms | 21 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 63992-18-7 |
|---|---|
| SMILES | CCC1CCCC[N+]1(C)S[N+]2(CCCCC2CC)C.[Cl-].[Cl-] |
| InChIKey | NVHFZNSRCOZLHJ-UHFFFAOYSA-L |
Product Overview
1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride (CAS 63992-18-7), with molecular formula C16H34Cl2N2S and molecular weight 356.18 g/mol. IUPAC: 2-ethyl-1-(2-ethyl-1-methylpiperidin-1-ium-1-yl)sulfanyl-1-methylpiperidin-1-ium dichloride.
Chemical Property Profile of 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride
Property Insights of 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride
The XLogP value of -1.62 indicates that 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.3 Ų, 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride has 0 hydrogen bond donor(s) and 3 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 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride?
The CAS number of 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride is 63992-18-7.
What is the molecular formula of 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride?
The molecular formula of 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride is C16H34Cl2N2S.
What is the molecular weight of 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride?
The molecular weight of 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride is 356.18 g/mol.
Where can I buy 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride?
You can request a quote for 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Sulfanediylbis(2-ethyl-1-methylpiperidin-1-ium) dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.