Tris(beta-stearatoethyl)amine
TL;DR: Tris(beta-stearatoethyl)amine (CAS 3002-22-0) is a chemical compound with molecular formula C60H117NO6 and molecular weight 947.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-octadecanoyloxyethyl)amino]ethyl octadecanoate
Also Known As: Triethanolamine tristearate, Nitrilotriethane-1,2-diyl tristearate, TRIS(BETA-STEARATOETHYL)AMINE, nitrilotriethane-1,2-diyltristearate, Octadecanoic acid, nitrilotri-2,1-ethanediyl ester
| Molecular Formula | C60H117NO6 |
|---|---|
| Molecular Weight | 947.89 g/mol |
| LogP | 25.2 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 60 |
| Exact Mass | 947.88806 |
| Heavy Atoms | 67 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 3002-22-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | UJMACCGITUHEGE-UHFFFAOYSA-N |
Product Overview
Tris(beta-stearatoethyl)amine (CAS 3002-22-0), with molecular formula C60H117NO6 and molecular weight 947.89 g/mol. IUPAC: 2-[bis(2-octadecanoyloxyethyl)amino]ethyl octadecanoate.
Chemical Property Profile of Tris(beta-stearatoethyl)amine
Property Insights of Tris(beta-stearatoethyl)amine
The XLogP value of 25.2 indicates that Tris(beta-stearatoethyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(beta-stearatoethyl)amine. Following Lipinski's Rule of Five, Tris(beta-stearatoethyl)amine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(beta-stearatoethyl)amine?
The CAS number of Tris(beta-stearatoethyl)amine is 3002-22-0.
What is the molecular formula of Tris(beta-stearatoethyl)amine?
The molecular formula of Tris(beta-stearatoethyl)amine is C60H117NO6.
What is the molecular weight of Tris(beta-stearatoethyl)amine?
The molecular weight of Tris(beta-stearatoethyl)amine is 947.89 g/mol.
Where can I buy Tris(beta-stearatoethyl)amine?
You can request a quote for Tris(beta-stearatoethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(beta-stearatoethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Tris(beta-stearatoethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.