Triallyl isocyanurate
TL;DR: Triallyl isocyanurate (CAS 1025-15-6) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: TRIALLYL ISOCYANURATE, Triallylisocyanurate, TAIC, Isocyanuric acid triallyl ester, 1,3,5-Triallyl-1,3,5-triazinane-2,4,6-trione
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| Melting Point | 74 to 25.0 °C |
| Boiling Point | 300 to 152.2 °C at 4 mmHg |
| Density | 1.159 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 110.0 °C |
Chemical Identifiers
| CAS Number | 1025-15-6 |
|---|---|
| SMILES | C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C |
| InChIKey | KOMNUTZXSVSERR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triallyl isocyanurate (CAS 1025-15-6), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Triallyl isocyanurate
Property Insights of Triallyl isocyanurate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triallyl isocyanurate. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triallyl isocyanurate. Following Lipinski's Rule of Five, Triallyl 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 Triallyl isocyanurate?
The CAS number of Triallyl isocyanurate is 1025-15-6.
What is the molecular formula of Triallyl isocyanurate?
The molecular formula of Triallyl isocyanurate is C12H15N3O3.
What is the molecular weight of Triallyl isocyanurate?
The molecular weight of Triallyl isocyanurate is 249.11 g/mol.
Where can I buy Triallyl isocyanurate?
You can request a quote for Triallyl isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triallyl isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Triallyl isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.