RefChem:76743
TL;DR: RefChem:76743 (CAS 68459-83-6) is a chemical compound with molecular formula C29H61N3O7S and molecular weight 595.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoylazanium;ethyl sulfate
Also Known As: [2-[amino]ethyl] ammoniumethylsulphate|[2-[ amino]ethyl] ammoniumethylsulphate|1-Octadecanaminium, N-(2-((2-aminoethyl)amino)ethyl)-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate|1-Octadecanaminium, N-(2-((2-aminoethyl)amino)ethyl)-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate (1:1)|1-Octadecanaminium, N-[2-[(2-aminoethyl)amino]ethyl]-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate|(2-((2-Aminoethyl)amino)ethyl)(2-carboxyethyl)(ethyl)(stearoyl)ammonium ethyl sulphate|1-Octadecanaminium, N-[2-[(2-aminoethyl)amino]ethyl]-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate (1:1)|n-{2-[(2-aminoethyl)amino]ethyl}-n-(2-carboxyethyl)-n-ethyl-1-oxooctadecan-1-aminium ethyl sulfate|[2-[(2-Aminoethyl)amino]ethyl](2-carboxyethyl)(ethyl)(stearoyl)ammonium ethyl sulfate|[2-[(2-aminoethyl)amino]ethyl](2-carboxyethyl)(ethyl)(stearoyl)ammonium ethyl sulphate|2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoylazanium; ethyl sulfate|N-{2-[(2-AMINOETHYL)AMINO]ETHYL}-N-(2-CARBOXYETHYL)-N-ETHYLOCTADECANAMIDIUM ETHYL SULFATE|EINECS 270-620-6|RefChem:76743|DTXCID801026699
| Molecular Formula | C29H61N3O7S |
|---|---|
| Molecular Weight | 595.42 g/mol |
| LogP | 5.12 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 26 |
| Exact Mass | 595.42303 |
| Heavy Atoms | 40 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 68459-83-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)[N+](CC)(CCC(=O)O)CCNCCN.CCOS(=O)(=O)[O-] |
| InChIKey | BWXUWFRLHCHAHX-UHFFFAOYSA-N |
Product Overview
RefChem:76743 (CAS 68459-83-6), with molecular formula C29H61N3O7S and molecular weight 595.42 g/mol. IUPAC: 2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoylazanium;ethyl sulfate.
Chemical Property Profile of RefChem:76743
Property Insights of RefChem:76743
The XLogP value of 5.12 indicates that RefChem:76743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting RefChem:76743 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:76743 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:76743?
The CAS number of RefChem:76743 is 68459-83-6.
What is the molecular formula of RefChem:76743?
The molecular formula of RefChem:76743 is C29H61N3O7S.
What is the molecular weight of RefChem:76743?
The molecular weight of RefChem:76743 is 595.42 g/mol.
Where can I buy RefChem:76743?
You can request a quote for RefChem:76743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:76743?
Yes, KEHONG BIO provides custom synthesis services for RefChem:76743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.