1,1',1''-(Methylidynetris(oxy))trisoctadecane
TL;DR: 1,1',1''-(Methylidynetris(oxy))trisoctadecane (CAS 17671-28-2) is a chemical compound with molecular formula C55H112O3 and molecular weight 820.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dioctadecoxymethoxy)octadecane
Also Known As: TRISTEARYL ORTHOFORMATE, 1-(dioctadecoxymethoxy)octadecane, trioctadecyl orthoformate, 1-[bis(octadecyloxy)methoxy]octadecane, 1,1',1''-(Methylidynetris(oxy))trisoctadecane
| Molecular Formula | C55H112O3 |
|---|---|
| Molecular Weight | 820.86 g/mol |
| LogP | 26.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 54 |
| Exact Mass | 820.86115 |
| Heavy Atoms | 58 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 17671-28-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC |
| InChIKey | AZJIEXRJDXOMAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1',1''-(Methylidynetris(oxy))trisoctadecane (CAS 17671-28-2), with molecular formula C55H112O3 and molecular weight 820.86 g/mol. IUPAC: 1-(dioctadecoxymethoxy)octadecane.
Chemical Property Profile of 1,1',1''-(Methylidynetris(oxy))trisoctadecane
Property Insights of 1,1',1''-(Methylidynetris(oxy))trisoctadecane
The XLogP value of 26.5 indicates that 1,1',1''-(Methylidynetris(oxy))trisoctadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1,1',1''-(Methylidynetris(oxy))trisoctadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1',1''-(Methylidynetris(oxy))trisoctadecane 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 1,1',1''-(Methylidynetris(oxy))trisoctadecane?
The CAS number of 1,1',1''-(Methylidynetris(oxy))trisoctadecane is 17671-28-2.
What is the molecular formula of 1,1',1''-(Methylidynetris(oxy))trisoctadecane?
The molecular formula of 1,1',1''-(Methylidynetris(oxy))trisoctadecane is C55H112O3.
What is the molecular weight of 1,1',1''-(Methylidynetris(oxy))trisoctadecane?
The molecular weight of 1,1',1''-(Methylidynetris(oxy))trisoctadecane is 820.86 g/mol.
Where can I buy 1,1',1''-(Methylidynetris(oxy))trisoctadecane?
You can request a quote for 1,1',1''-(Methylidynetris(oxy))trisoctadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',1''-(Methylidynetris(oxy))trisoctadecane?
Yes, KEHONG BIO provides custom synthesis services for 1,1',1''-(Methylidynetris(oxy))trisoctadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.