Tridecyl Trimellitate
TL;DR: Tridecyl Trimellitate (CAS 4130-35-2) 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-decyl benzene-1,2,4-tricarboxylate
Also Known As: Tridecyl trimellitate, PELEMOL TDTM, HATCOL 5103, 1,2,4-Benzenetricarboxylic acid, tris(decyl) ester, TRIDECYL TRIMELLITATE [INCI]
| Molecular Formula | C39H66O6 |
|---|---|
| Molecular Weight | 630.49 g/mol |
| LogP | 15.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 33 |
| Exact Mass | 630.48596 |
| Heavy Atoms | 45 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 4130-35-2 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCCC |
| InChIKey | SMYKBXMWXCZOLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tridecyl Trimellitate (CAS 4130-35-2), with molecular formula C39H66O6 and molecular weight 630.49 g/mol. IUPAC: tris-decyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Tridecyl Trimellitate
Property Insights of Tridecyl Trimellitate
The XLogP value of 15.0 indicates that Tridecyl 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 Tridecyl Trimellitate. Following Lipinski's Rule of Five, Tridecyl 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 Tridecyl Trimellitate?
The CAS number of Tridecyl Trimellitate is 4130-35-2.
What is the molecular formula of Tridecyl Trimellitate?
The molecular formula of Tridecyl Trimellitate is C39H66O6.
What is the molecular weight of Tridecyl Trimellitate?
The molecular weight of Tridecyl Trimellitate is 630.49 g/mol.
Where can I buy Tridecyl Trimellitate?
You can request a quote for Tridecyl Trimellitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridecyl Trimellitate?
Yes, KEHONG BIO provides custom synthesis services for Tridecyl Trimellitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.