Triundecanoin
TL;DR: Triundecanoin (CAS 13552-80-2) is a chemical compound with molecular formula C36H68O6 and molecular weight 596.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(undecanoyloxy)propyl undecanoate
Also Known As: Triundecanoin, Glyceryl triundecanoate, Trihendecanoin, n-Trihendecanoin, Triundecylin
| Molecular Formula | C36H68O6 |
|---|---|
| Molecular Weight | 596.50 g/mol |
| LogP | 13.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 35 |
| Exact Mass | 596.5016 |
| Heavy Atoms | 42 |
| Complexity | 584.0 |
| Melting Point | 31.2 °C |
Chemical Identifiers
| CAS Number | 13552-80-2 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC |
| InChIKey | MBXVIRZWSHICAV-UHFFFAOYSA-N |
Product Overview
Triundecanoin (CAS 13552-80-2), with molecular formula C36H68O6 and molecular weight 596.50 g/mol. IUPAC: 2,3-di(undecanoyloxy)propyl undecanoate.
Chemical Property Profile of Triundecanoin
Property Insights of Triundecanoin
The XLogP value of 13.8 indicates that Triundecanoin 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 Triundecanoin. Following Lipinski's Rule of Five, Triundecanoin 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 Triundecanoin?
The CAS number of Triundecanoin is 13552-80-2.
What is the molecular formula of Triundecanoin?
The molecular formula of Triundecanoin is C36H68O6.
What is the molecular weight of Triundecanoin?
The molecular weight of Triundecanoin is 596.50 g/mol.
Where can I buy Triundecanoin?
You can request a quote for Triundecanoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triundecanoin?
Yes, KEHONG BIO provides custom synthesis services for Triundecanoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.