1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate
TL;DR: 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate (CAS 13675-27-9) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(prop-2-enyl) prop-1-ene-1,2,3-tricarboxylate
Also Known As: Triallyl aconitate, ACONITIC ACID, TRIALLYL ESTER, tris(prop-2-enyl) prop-1-ene-1,2,3-tricarboxylate, 1,2,3-tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate, tris(prop-2-enyl) (E)-prop-1-ene-1,2,3-tricarboxylate
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 13675-27-9 |
|---|---|
| SMILES | C=CCOC(=O)CC(=CC(=O)OCC=C)C(=O)OCC=C |
| InChIKey | NZHHDFRSEQSGLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate (CAS 13675-27-9), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: tris(prop-2-enyl) prop-1-ene-1,2,3-tricarboxylate.
Chemical Property Profile of 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate
Property Insights of 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate 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 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate?
The CAS number of 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate is 13675-27-9.
What is the molecular formula of 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate?
The molecular formula of 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate is C15H18O6.
What is the molecular weight of 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate?
The molecular weight of 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate is 294.11 g/mol.
Where can I buy 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate?
You can request a quote for 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Tris(prop-2-en-1-yl) prop-1-ene-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.