Diethanolamine, stearate ester
TL;DR: Diethanolamine, stearate ester (CAS 70775-86-9) is a chemical compound with molecular formula C22H45NO4 and molecular weight 387.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylideneamino)ethanol;octadecanoic acid
Also Known As: Diethanolamine stearate, Diethanolamine, stearate ester, 2-(2-hydroxyethylideneamino)ethanol; octadecanoic acid, Octadecanoic acid, ester with 2,2'-iminobis(ethanol), octadecanoic acid- 2-{[(1e)-2-hydroxyethylidene]amino}ethanol(1:1)
| Molecular Formula | C22H45NO4 |
|---|---|
| Molecular Weight | 387.33 g/mol |
| LogP | 5.37 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 387.33487 |
| Heavy Atoms | 27 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 70775-86-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.C(CO)N=CCO |
| InChIKey | HXWNEKNQVYFVTH-UHFFFAOYSA-N |
Product Overview
Diethanolamine, stearate ester (CAS 70775-86-9), with molecular formula C22H45NO4 and molecular weight 387.33 g/mol. IUPAC: 2-(2-hydroxyethylideneamino)ethanol;octadecanoic acid.
Chemical Property Profile of Diethanolamine, stearate ester
Property Insights of Diethanolamine, stearate ester
The XLogP value of 5.37 indicates that Diethanolamine, stearate ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethanolamine, stearate ester. Following Lipinski's Rule of Five, Diethanolamine, stearate ester has 3 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 Diethanolamine, stearate ester?
The CAS number of Diethanolamine, stearate ester is 70775-86-9.
What is the molecular formula of Diethanolamine, stearate ester?
The molecular formula of Diethanolamine, stearate ester is C22H45NO4.
What is the molecular weight of Diethanolamine, stearate ester?
The molecular weight of Diethanolamine, stearate ester is 387.33 g/mol.
Where can I buy Diethanolamine, stearate ester?
You can request a quote for Diethanolamine, stearate ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethanolamine, stearate ester?
Yes, KEHONG BIO provides custom synthesis services for Diethanolamine, stearate ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.