Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)
TL;DR: Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) (CAS 116196-85-1) is a chemical compound with molecular formula C14H28O6S4 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonate;1-methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium
Also Known As: Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate), 2H,2'H-4,4'-Bithiopyranium, octahydro-1,1'-dimethyl-, bis(methanesulfonate), 4,4'-Bi-2H-thiopyranium, octahydro-1,1'-dimethyl-, dimethanesulfonate, 1-Methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium dimethanesulfonate, methanesulfonate; 1-methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium
| Molecular Formula | C14H28O6S4 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 0.5455 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.07687 |
| Heavy Atoms | 24 |
| Complexity | 542.7542 |
Chemical Identifiers
| CAS Number | 116196-85-1 |
|---|---|
| SMILES | C[S+]1CCC(CC1)C2=CC[S+](CC2)C.CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
Product Overview
Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) (CAS 116196-85-1), with molecular formula C14H28O6S4 and molecular weight 420.08 g/mol. IUPAC: methanesulfonate;1-methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium.
Chemical Property Profile of Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)
Property Insights of Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)
The XLogP value of 0.5455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate). The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate). Following Lipinski's Rule of Five, Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) has 0 hydrogen bond donor(s) and 6 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 Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)?
The CAS number of Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) is 116196-85-1.
What is the molecular formula of Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)?
The molecular formula of Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) is C14H28O6S4.
What is the molecular weight of Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)?
The molecular weight of Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) is 420.08 g/mol.
Where can I buy Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)?
You can request a quote for Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.