![Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- structure](/static/products/6076/6076-42-2.webp)
Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-
TL;DR: Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- (CAS 6076-42-2) is a chemical compound with molecular formula C57H116O3 and molecular weight 848.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dioctadecoxypropoxy)octadecane
Also Known As: Glycerine tristearyl ether, 1-(2,3-dioctadecoxypropoxy)octadecane, Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-, 1-{[1,3-bis(octadecyloxy)propan-2-yl]oxy}octadecane, 1-(1,3-Dioctadecoxypropan-2-yloxy)octadecane
| Molecular Formula | C57H116O3 |
|---|---|
| Molecular Weight | 848.89 g/mol |
| LogP | 26.3 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 56 |
| Exact Mass | 848.89246 |
| Heavy Atoms | 60 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 6076-42-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC |
| InChIKey | YEOQJOVGXZYQOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- (CAS 6076-42-2), with molecular formula C57H116O3 and molecular weight 848.89 g/mol. IUPAC: 1-(2,3-dioctadecoxypropoxy)octadecane.
Chemical Property Profile of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-
Property Insights of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-
The XLogP value of 26.3 indicates that Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-?
The CAS number of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- is 6076-42-2.
What is the molecular formula of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-?
The molecular formula of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- is C57H116O3.
What is the molecular weight of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-?
The molecular weight of Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- is 848.89 g/mol.
Where can I buy Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-?
You can request a quote for Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-?
Yes, KEHONG BIO provides custom synthesis services for Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.