Trihydroxymethylpropyl trioleate
TL;DR: Trihydroxymethylpropyl trioleate (CAS 57675-44-2) is a chemical compound with molecular formula C60H110O6 and molecular weight 926.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(octadec-9-enoyloxymethyl)butyl octadec-9-enoate
Also Known As: Trimethylolpropane trioleate, Trihydroxymethylpropyl trioleate, 2,2-bis(octadec-9-enoyloxymethyl)butyl octadec-9-enoate, N0001-022842, (Z)-2-Ethyl-2-((oleoyloxy)methyl)propane-1,3-diyl dioleate
| Molecular Formula | C60H110O6 |
|---|---|
| Molecular Weight | 926.83 g/mol |
| LogP | 23.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 55 |
| Exact Mass | 926.83026 |
| Heavy Atoms | 66 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 57675-44-2 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | BTGGRPUPMPLZNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trihydroxymethylpropyl trioleate (CAS 57675-44-2), with molecular formula C60H110O6 and molecular weight 926.83 g/mol. IUPAC: 2,2-bis(octadec-9-enoyloxymethyl)butyl octadec-9-enoate.
Chemical Property Profile of Trihydroxymethylpropyl trioleate
Property Insights of Trihydroxymethylpropyl trioleate
The XLogP value of 23.3 indicates that Trihydroxymethylpropyl trioleate 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 Trihydroxymethylpropyl trioleate. Following Lipinski's Rule of Five, Trihydroxymethylpropyl trioleate 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 Trihydroxymethylpropyl trioleate?
The CAS number of Trihydroxymethylpropyl trioleate is 57675-44-2.
What is the molecular formula of Trihydroxymethylpropyl trioleate?
The molecular formula of Trihydroxymethylpropyl trioleate is C60H110O6.
What is the molecular weight of Trihydroxymethylpropyl trioleate?
The molecular weight of Trihydroxymethylpropyl trioleate is 926.83 g/mol.
Where can I buy Trihydroxymethylpropyl trioleate?
You can request a quote for Trihydroxymethylpropyl trioleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trihydroxymethylpropyl trioleate?
Yes, KEHONG BIO provides custom synthesis services for Trihydroxymethylpropyl trioleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.