乙基己基三嗪酮
TL;DR: 乙基己基三嗪酮 (CAS 116244-12-3) is a chemical compound with molecular formula C48H66N6O6 and molecular weight 822.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙基己基三嗪酮
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
| Molecular Formula | C48H66N6O6 |
|---|---|
| Molecular Weight | 822.50 g/mol |
| LogP | 14.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Exact Mass | 822.5044 |
| Heavy Atoms | 60 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 116244-12-3 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基己基三嗪酮 (CAS 116244-12-3), with molecular formula C48H66N6O6 and molecular weight 822.50 g/mol. IUPAC: 2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate.
Chemical Property Profile of 乙基己基三嗪酮
Property Insights of 乙基己基三嗪酮
The XLogP value of 14.5 indicates that 乙基己基三嗪酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting 乙基己基三嗪酮 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙基己基三嗪酮 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 乙基己基三嗪酮?
The CAS number of 乙基己基三嗪酮 is 116244-12-3.
What is the molecular formula of 乙基己基三嗪酮?
The molecular formula of 乙基己基三嗪酮 is C48H66N6O6.
What is the molecular weight of 乙基己基三嗪酮?
The molecular weight of 乙基己基三嗪酮 is 822.50 g/mol.
Where can I buy 乙基己基三嗪酮?
You can request a quote for 乙基己基三嗪酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基己基三嗪酮?
Yes, KEHONG BIO provides custom synthesis services for 乙基己基三嗪酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.