Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-
TL;DR: Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- (CAS 13681-75-9) is a chemical compound with molecular formula C45H63N3O6 and molecular weight 741.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,6-bis(2-hydroxy-4-octoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
Also Known As: Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-, 2,2',2''-s-Triazine-2,4,6-triyltris(5-(octyloxy)phenol), 186833-EP2270113A1, 186833-EP2272935A1, Phenol, 2,2',2''-s-triazine-2,4,6-triyltris(5-octyloxy)-
| Molecular Formula | C45H63N3O6 |
|---|---|
| Molecular Weight | 741.47 g/mol |
| LogP | 14.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 27 |
| Exact Mass | 741.4717 |
| Heavy Atoms | 54 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 13681-75-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)OCCCCCCCC)O)C4=C(C=C(C=C4)OCCCCCCCC)O)O |
| InChIKey | WPMUMRCRKFBYIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- (CAS 13681-75-9), with molecular formula C45H63N3O6 and molecular weight 741.47 g/mol. IUPAC: 2-[4,6-bis(2-hydroxy-4-octoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol.
Chemical Property Profile of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-
Property Insights of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-
The XLogP value of 14.1 indicates that Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-. Following Lipinski's Rule of Five, Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-?
The CAS number of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- is 13681-75-9.
What is the molecular formula of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-?
The molecular formula of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- is C45H63N3O6.
What is the molecular weight of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-?
The molecular weight of Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- is 741.47 g/mol.
Where can I buy Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-?
You can request a quote for Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.