Trimethylolpropane trinonanoate
TL;DR: Trimethylolpropane trinonanoate (CAS 126-57-8) is a chemical compound with molecular formula C33H62O6 and molecular weight 554.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(nonanoyloxymethyl)butyl nonanoate
Also Known As: Trimethylolpropane trinonanoate, TMP TRINONANOATE, TMP TRIPELARGONATE, TRIMETHYLOLPROPANE TRIPELARGONATE, TMP-C 9
| Molecular Formula | C33H62O6 |
|---|---|
| Molecular Weight | 554.45 g/mol |
| LogP | 11.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 31 |
| Exact Mass | 554.45465 |
| Heavy Atoms | 39 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 126-57-8 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC |
| InChIKey | KDMAJIXYCNOVJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane trinonanoate (CAS 126-57-8), with molecular formula C33H62O6 and molecular weight 554.45 g/mol. IUPAC: 2,2-bis(nonanoyloxymethyl)butyl nonanoate.
Chemical Property Profile of Trimethylolpropane trinonanoate
Property Insights of Trimethylolpropane trinonanoate
The XLogP value of 11.5 indicates that Trimethylolpropane trinonanoate 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 trinonanoate. Following Lipinski's Rule of Five, Trimethylolpropane trinonanoate 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 trinonanoate?
The CAS number of Trimethylolpropane trinonanoate is 126-57-8.
What is the molecular formula of Trimethylolpropane trinonanoate?
The molecular formula of Trimethylolpropane trinonanoate is C33H62O6.
What is the molecular weight of Trimethylolpropane trinonanoate?
The molecular weight of Trimethylolpropane trinonanoate is 554.45 g/mol.
Where can I buy Trimethylolpropane trinonanoate?
You can request a quote for Trimethylolpropane trinonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane trinonanoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane trinonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.