Trimethylolpropane triisostearate
TL;DR: Trimethylolpropane triisostearate (CAS 68541-50-4) is a chemical compound with molecular formula C60H116O6 and molecular weight 932.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(16-methylheptadecanoyloxymethyl)butyl 16-methylheptadecanoate
Also Known As: Trimethylolpropane triisostearate, CRODAMOL TTIS, PELEMOL TMPIS, KAK TTI, HEST T-3IS
| Molecular Formula | C60H116O6 |
|---|---|
| Molecular Weight | 932.88 g/mol |
| LogP | 25.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 55 |
| Exact Mass | 932.8772 |
| Heavy Atoms | 66 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 68541-50-4 |
|---|---|
| SMILES | CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | RKJGFHYCZPZJPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane triisostearate (CAS 68541-50-4), with molecular formula C60H116O6 and molecular weight 932.88 g/mol. IUPAC: 2,2-bis(16-methylheptadecanoyloxymethyl)butyl 16-methylheptadecanoate.
Chemical Property Profile of Trimethylolpropane triisostearate
Property Insights of Trimethylolpropane triisostearate
The XLogP value of 25.3 indicates that Trimethylolpropane triisostearate 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 Trimethylolpropane triisostearate. Following Lipinski's Rule of Five, Trimethylolpropane triisostearate 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 Trimethylolpropane triisostearate?
The CAS number of Trimethylolpropane triisostearate is 68541-50-4.
What is the molecular formula of Trimethylolpropane triisostearate?
The molecular formula of Trimethylolpropane triisostearate is C60H116O6.
What is the molecular weight of Trimethylolpropane triisostearate?
The molecular weight of Trimethylolpropane triisostearate is 932.88 g/mol.
Where can I buy Trimethylolpropane triisostearate?
You can request a quote for Trimethylolpropane triisostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane triisostearate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane triisostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.