Triisodecyl Trimellitate
TL;DR: Triisodecyl Trimellitate (CAS 41287-75-6) is a chemical compound with molecular formula C39H66O6 and molecular weight 630.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(8-methylnonyl) benzene-1,2,4-tricarboxylate
Also Known As: Triisodecyl trimellitate, tri-isodecyl trimellitate, DUB TMI, Triisodecyl benzene-1,2,4-tricarboxylate, DSSTox_CID_27180
| Molecular Formula | C39H66O6 |
|---|---|
| Molecular Weight | 630.49 g/mol |
| LogP | 14.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Exact Mass | 630.48596 |
| Heavy Atoms | 45 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 41287-75-6 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C |
| InChIKey | FJFYFBRNDHRTHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisodecyl Trimellitate (CAS 41287-75-6), with molecular formula C39H66O6 and molecular weight 630.49 g/mol. IUPAC: tris(8-methylnonyl) benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Triisodecyl Trimellitate
Property Insights of Triisodecyl Trimellitate
The XLogP value of 14.1 indicates that Triisodecyl Trimellitate 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 Triisodecyl Trimellitate. Following Lipinski's Rule of Five, Triisodecyl Trimellitate 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 Triisodecyl Trimellitate?
The CAS number of Triisodecyl Trimellitate is 41287-75-6.
What is the molecular formula of Triisodecyl Trimellitate?
The molecular formula of Triisodecyl Trimellitate is C39H66O6.
What is the molecular weight of Triisodecyl Trimellitate?
The molecular weight of Triisodecyl Trimellitate is 630.49 g/mol.
Where can I buy Triisodecyl Trimellitate?
You can request a quote for Triisodecyl Trimellitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisodecyl Trimellitate?
Yes, KEHONG BIO provides custom synthesis services for Triisodecyl Trimellitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.