1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate
TL;DR: 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate (CAS 59997-85-2) is a chemical compound with molecular formula C21H43NO5S and molecular weight 421.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-1-[2-(trimethylazaniumyl)ethoxy]hexadecane-2-sulfonate
Also Known As: 1-(2-(TRIMETHYLAMINO)ETHYL) 2-SULFOHEXADECANOATE, 1-oxo-1-[2-(trimethylazaniumyl)ethoxy]hexadecane-2-sulfonate
| Molecular Formula | C21H43NO5S |
|---|---|
| Molecular Weight | 421.29 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 421.2862 |
| Heavy Atoms | 28 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 59997-85-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C(=O)OCC[N+](C)(C)C)S(=O)(=O)[O-] |
| InChIKey | ZKZZADMKOUKBGW-UHFFFAOYSA-N |
Product Overview
1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate (CAS 59997-85-2), with molecular formula C21H43NO5S and molecular weight 421.29 g/mol. IUPAC: 1-oxo-1-[2-(trimethylazaniumyl)ethoxy]hexadecane-2-sulfonate.
Chemical Property Profile of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate
Property Insights of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate
The XLogP value of 6.2 indicates that 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate. Following Lipinski's Rule of Five, 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate?
The CAS number of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate is 59997-85-2.
What is the molecular formula of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate?
The molecular formula of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate is C21H43NO5S.
What is the molecular weight of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate?
The molecular weight of 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate is 421.29 g/mol.
Where can I buy 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate?
You can request a quote for 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.