Triallyl trimellitate
TL;DR: Triallyl trimellitate (CAS 2694-54-4) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(prop-2-enyl) benzene-1,2,4-tricarboxylate
Also Known As: Triallyl trimellitate, Triallyl benzene-1,2,4-tricarboxylate, Triam 705, triallyltrimelliate, Triallyl trimellite
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 2694-54-4 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC=C)C(=O)OCC=C |
| InChIKey | GRPURDFRFHUDSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triallyl trimellitate (CAS 2694-54-4), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: tris(prop-2-enyl) benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Triallyl trimellitate
Property Insights of Triallyl trimellitate
The XLogP value of 3.7 indicates that Triallyl 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 Triallyl trimellitate. Following Lipinski's Rule of Five, Triallyl trimellitate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triallyl trimellitate?
The CAS number of Triallyl trimellitate is 2694-54-4.
What is the molecular formula of Triallyl trimellitate?
The molecular formula of Triallyl trimellitate is C18H18O6.
What is the molecular weight of Triallyl trimellitate?
The molecular weight of Triallyl trimellitate is 330.11 g/mol.
Where can I buy Triallyl trimellitate?
You can request a quote for Triallyl trimellitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triallyl trimellitate?
Yes, KEHONG BIO provides custom synthesis services for Triallyl trimellitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.