Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
TL;DR: Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate (CAS 27676-62-6) is a chemical compound with molecular formula C48H69N3O6 and molecular weight 783.5186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
Also Known As: 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione, Plastic additive 6, Antioxidant 3114, IRGANOX 3114, Tris isocyanurate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C48H69N3O6 |
| Molecular Weight | 783.5186 g/mol |
| XLogP | 12.8 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 783.5186 Da |
| Heavy Atoms | 57 |
| Complexity | 1170.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C |
| InChIKey | VNQNXQYZMPJLQX-UHFFFAOYSA-N |
Chemical Property Profile of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
Property Insights of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
The XLogP value of 12.8 indicates that Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate. Following Lipinski's Rule of Five, Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate?
The CAS number of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate is 27676-62-6.
What is the molecular formula of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate?
The molecular formula of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate is C48H69N3O6.
What is the molecular weight of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate?
The molecular weight of Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate is 783.5186 g/mol.
Where can I buy Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate?
You can request a quote for Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate?
Yes, CoreyChem provides custom synthesis services for Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.