Trimethylallyl isocyanurate
TL;DR: Trimethylallyl isocyanurate (CAS 6291-95-8) is a chemical compound with molecular formula C15H21N3O3 and molecular weight 291.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: trimethallyl isocyanurate, Trimethylallyl isocyanurate, TMAIC, 1,3,5-Tris(2-methylallyl)-1,3,5-triazinane-2,4,6-trione, TRIMETHALLYLISOCYANURATE
| Molecular Formula | C15H21N3O3 |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.1583 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 6291-95-8 |
|---|---|
| SMILES | CC(=C)CN1C(=O)N(C(=O)N(C1=O)CC(=C)C)CC(=C)C |
| InChIKey | MPJPKEMZYOAIRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylallyl isocyanurate (CAS 6291-95-8), with molecular formula C15H21N3O3 and molecular weight 291.16 g/mol. IUPAC: 1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Trimethylallyl isocyanurate
Property Insights of Trimethylallyl isocyanurate
The XLogP value of 3.2 indicates that Trimethylallyl isocyanurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylallyl isocyanurate. Following Lipinski's Rule of Five, Trimethylallyl isocyanurate has 0 hydrogen bond donor(s) and 3 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 Trimethylallyl isocyanurate?
The CAS number of Trimethylallyl isocyanurate is 6291-95-8.
What is the molecular formula of Trimethylallyl isocyanurate?
The molecular formula of Trimethylallyl isocyanurate is C15H21N3O3.
What is the molecular weight of Trimethylallyl isocyanurate?
The molecular weight of Trimethylallyl isocyanurate is 291.16 g/mol.
Where can I buy Trimethylallyl isocyanurate?
You can request a quote for Trimethylallyl isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylallyl isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylallyl isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.