Triisostearin
TL;DR: Triisostearin (CAS 96497-76-6) is a chemical compound with molecular formula C57H110O6 and molecular weight 890.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate
Also Known As: Triisostearin, Glycerin triisostearate, Glycerol triisostearate, Salacos 3318, TISG
| Molecular Formula | C57H110O6 |
|---|---|
| Molecular Weight | 890.83 g/mol |
| LogP | 24.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 53 |
| Exact Mass | 890.83026 |
| Heavy Atoms | 63 |
| Complexity | 924.0 |
Chemical Identifiers
| CAS Number | 96497-76-6 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | JNAYPSWVMNJOPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisostearin (CAS 96497-76-6), with molecular formula C57H110O6 and molecular weight 890.83 g/mol. IUPAC: 2,3-bis(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate.
Chemical Property Profile of Triisostearin
Property Insights of Triisostearin
The XLogP value of 24.3 indicates that Triisostearin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triisostearin. Following Lipinski's Rule of Five, Triisostearin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triisostearin?
The CAS number of Triisostearin is 96497-76-6.
What is the molecular formula of Triisostearin?
The molecular formula of Triisostearin is C57H110O6.
What is the molecular weight of Triisostearin?
The molecular weight of Triisostearin is 890.83 g/mol.
Where can I buy Triisostearin?
You can request a quote for Triisostearin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisostearin?
Yes, KEHONG BIO provides custom synthesis services for Triisostearin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.