Tritridecanoin
TL;DR: Tritridecanoin (CAS 26536-12-9) is a chemical compound with molecular formula C42H80O6 and molecular weight 680.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(tridecanoyloxy)propyl tridecanoate
Also Known As: Tritridecanoin, Glyceryl tritridecanoate, 1,2,3-Tritridecanoylglycerol, Tritridecanoin, 8CI, Glycerol tritridecanoate
| Molecular Formula | C42H80O6 |
|---|---|
| Molecular Weight | 680.60 g/mol |
| LogP | 17.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 41 |
| Exact Mass | 680.5955 |
| Heavy Atoms | 48 |
| Complexity | 668.0 |
| Melting Point | 44.5 °C |
Chemical Identifiers
| CAS Number | 26536-12-9 |
|---|---|
| SMILES | CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC |
| InChIKey | UDXANBFMQUOKTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tritridecanoin (CAS 26536-12-9), with molecular formula C42H80O6 and molecular weight 680.60 g/mol. IUPAC: 2,3-di(tridecanoyloxy)propyl tridecanoate.
Chemical Property Profile of Tritridecanoin
Property Insights of Tritridecanoin
The XLogP value of 17.1 indicates that Tritridecanoin 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 Tritridecanoin. Following Lipinski's Rule of Five, Tritridecanoin 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 Tritridecanoin?
The CAS number of Tritridecanoin is 26536-12-9.
What is the molecular formula of Tritridecanoin?
The molecular formula of Tritridecanoin is C42H80O6.
What is the molecular weight of Tritridecanoin?
The molecular weight of Tritridecanoin is 680.60 g/mol.
Where can I buy Tritridecanoin?
You can request a quote for Tritridecanoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tritridecanoin?
Yes, KEHONG BIO provides custom synthesis services for Tritridecanoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.