Myristalkonium saccharinate
TL;DR: Myristalkonium saccharinate (CAS 68989-01-5) is a chemical compound with molecular formula C30H46N2O3S and molecular weight 514.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-tetradecylazanium;1-oxido-1-oxo-1,2-benzothiazol-3-one
Also Known As: Quaternium 3, MYRISTALKONIUM SACCHARINATE, Myristyl dimethyl benzyl ammonium saccharinate, C12-18-Alkyldimethylbenzyl ammonium saccharinate, MYRISTALKONIUM SACCHARINATE [INCI]
| Molecular Formula | C30H46N2O3S |
|---|---|
| Molecular Weight | 514.32 g/mol |
| LogP | 7.76 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 514.32294 |
| Heavy Atoms | 36 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 68989-01-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)N=S2(=O)[O-] |
| InChIKey | KRPAACLBBQSAEA-UHFFFAOYSA-M |
Product Overview
Myristalkonium saccharinate (CAS 68989-01-5), with molecular formula C30H46N2O3S and molecular weight 514.32 g/mol. IUPAC: benzyl-dimethyl-tetradecylazanium;1-oxido-1-oxo-1,2-benzothiazol-3-one.
Chemical Property Profile of Myristalkonium saccharinate
Property Insights of Myristalkonium saccharinate
The XLogP value of 7.76 indicates that Myristalkonium saccharinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Myristalkonium saccharinate. Following Lipinski's Rule of Five, Myristalkonium saccharinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Myristalkonium saccharinate?
The CAS number of Myristalkonium saccharinate is 68989-01-5.
What is the molecular formula of Myristalkonium saccharinate?
The molecular formula of Myristalkonium saccharinate is C30H46N2O3S.
What is the molecular weight of Myristalkonium saccharinate?
The molecular weight of Myristalkonium saccharinate is 514.32 g/mol.
Where can I buy Myristalkonium saccharinate?
You can request a quote for Myristalkonium saccharinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myristalkonium saccharinate?
Yes, KEHONG BIO provides custom synthesis services for Myristalkonium saccharinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.