Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester
TL;DR: Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester (CAS 3002-20-8) is a chemical compound with molecular formula C42H81NO6 and molecular weight 695.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
Also Known As: Nitrilotriethylene trilaurate, Triethanolamine laurate, Triethanolamine trilaurate, Lauric triethanolamine ester, Lauric triethanolaminetriester
| Molecular Formula | C42H81NO6 |
|---|---|
| Molecular Weight | 695.61 g/mol |
| LogP | 15.4 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 42 |
| Exact Mass | 695.6064 |
| Heavy Atoms | 49 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 3002-20-8 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCC)CCOC(=O)CCCCCCCCCCC |
| InChIKey | AKXHFKRRKWIXRH-UHFFFAOYSA-N |
Product Overview
Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester (CAS 3002-20-8), with molecular formula C42H81NO6 and molecular weight 695.61 g/mol. IUPAC: 2-[bis(2-dodecanoyloxyethyl)amino]ethyl dodecanoate.
Chemical Property Profile of Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester
Property Insights of Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester
The XLogP value of 15.4 indicates that Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester 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 Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester. Following Lipinski's Rule of Five, Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester 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 Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester?
The CAS number of Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester is 3002-20-8.
What is the molecular formula of Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester?
The molecular formula of Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester is C42H81NO6.
What is the molecular weight of Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester?
The molecular weight of Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester is 695.61 g/mol.
Where can I buy Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester?
You can request a quote for Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.