Ethylhexyl triazone
TL;DR: Ethylhexyl triazone (CAS 116244-12-3) is a chemical compound with molecular formula C48H66N6O6 and molecular weight 822.5044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate
Also Known As: Ethylhexyl triazone, Octyl triazone, Octyltriazon, Koptrizon, Uvasorb ET
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C48H66N6O6 |
| Molecular Weight | 822.5044 g/mol |
| XLogP | 14.5 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Exact Mass | 822.5044 Da |
| Heavy Atoms | 60 |
| Complexity | 1030.0 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC |
| InChIKey | JGUMTYWKIBJSTN-UHFFFAOYSA-N |
Product Description
Applications: Ethylhexyl triazone is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Ethylhexyl triazone (CAS 116244-12-3) has the molecular formula C48H66N6O6 and a molecular weight of 822.5 g/mol. Synonyms include Ethylhexyl triazone and Octyl triazone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethylhexyl triazone
Property Insights of Ethylhexyl triazone
The XLogP value of 14.5 indicates that Ethylhexyl triazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Ethylhexyl triazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethylhexyl triazone has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethylhexyl triazone?
The CAS number of Ethylhexyl triazone is 116244-12-3.
What is the molecular formula of Ethylhexyl triazone?
The molecular formula of Ethylhexyl triazone is C48H66N6O6.
What is the molecular weight of Ethylhexyl triazone?
The molecular weight of Ethylhexyl triazone is 822.5044 g/mol.
What are the applications of Ethylhexyl triazone?
Ethylhexyl triazone is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethylhexyl triazone?
You can request a quote for Ethylhexyl triazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethylhexyl triazone?
Yes, CoreyChem provides custom synthesis services for Ethylhexyl triazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.