Methyldioctadecylsulphonium methyl sulphate
TL;DR: Methyldioctadecylsulphonium methyl sulphate (CAS 28997-77-5) is a chemical compound with molecular formula C38H80O4S2 and molecular weight 664.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl(dioctadecyl)sulfanium;methyl sulfate
Also Known As: Methyldioctadecylsulphonium methyl sulphate, EINECS 249-363-9, Methyldi(octadecyl)sulfanium methyl sulfate, methyl(dioctadecyl)sulfanium; methyl sulfate
| Molecular Formula | C38H80O4S2 |
|---|---|
| Molecular Weight | 664.55 g/mol |
| LogP | 12.8505 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 35 |
| Exact Mass | 664.5498 |
| Heavy Atoms | 44 |
| Complexity | 575.9533 |
Chemical Identifiers
| CAS Number | 28997-77-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[S+](C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-] |
Product Overview
Methyldioctadecylsulphonium methyl sulphate (CAS 28997-77-5), with molecular formula C38H80O4S2 and molecular weight 664.55 g/mol. IUPAC: methyl(dioctadecyl)sulfanium;methyl sulfate.
Chemical Property Profile of Methyldioctadecylsulphonium methyl sulphate
Property Insights of Methyldioctadecylsulphonium methyl sulphate
The XLogP value of 12.8505 indicates that Methyldioctadecylsulphonium methyl sulphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyldioctadecylsulphonium methyl sulphate. Following Lipinski's Rule of Five, Methyldioctadecylsulphonium methyl sulphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyldioctadecylsulphonium methyl sulphate?
The CAS number of Methyldioctadecylsulphonium methyl sulphate is 28997-77-5.
What is the molecular formula of Methyldioctadecylsulphonium methyl sulphate?
The molecular formula of Methyldioctadecylsulphonium methyl sulphate is C38H80O4S2.
What is the molecular weight of Methyldioctadecylsulphonium methyl sulphate?
The molecular weight of Methyldioctadecylsulphonium methyl sulphate is 664.55 g/mol.
Where can I buy Methyldioctadecylsulphonium methyl sulphate?
You can request a quote for Methyldioctadecylsulphonium methyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyldioctadecylsulphonium methyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for Methyldioctadecylsulphonium methyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.