Triheptadecanoin
TL;DR: Triheptadecanoin (CAS 2438-40-6) is a chemical compound with molecular formula C54H104O6 and molecular weight 848.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(heptadecanoyloxy)propyl heptadecanoate
Also Known As: Triheptadecanoin, Glyceryl triheptadecanoate, Trimargarin, Trimargarine, Trimargaroylglycerol
| Molecular Formula | C54H104O6 |
|---|---|
| Molecular Weight | 848.78 g/mol |
| LogP | 17.5988 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 50 |
| Exact Mass | 848.78326 |
| Heavy Atoms | 60 |
| Complexity | 841.4038 |
Chemical Identifiers
| CAS Number | 2438-40-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC |
Product Overview
Triheptadecanoin (CAS 2438-40-6), with molecular formula C54H104O6 and molecular weight 848.78 g/mol. IUPAC: 2,3-di(heptadecanoyloxy)propyl heptadecanoate.
Chemical Property Profile of Triheptadecanoin
Property Insights of Triheptadecanoin
The XLogP value of 17.5988 indicates that Triheptadecanoin 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 Triheptadecanoin. Following Lipinski's Rule of Five, Triheptadecanoin 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 Triheptadecanoin?
The CAS number of Triheptadecanoin is 2438-40-6.
What is the molecular formula of Triheptadecanoin?
The molecular formula of Triheptadecanoin is C54H104O6.
What is the molecular weight of Triheptadecanoin?
The molecular weight of Triheptadecanoin is 848.78 g/mol.
Where can I buy Triheptadecanoin?
You can request a quote for Triheptadecanoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triheptadecanoin?
Yes, KEHONG BIO provides custom synthesis services for Triheptadecanoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.