2,4,6-Tris(dimethylaminomethyl)phenol, stearate
TL;DR: 2,4,6-Tris(dimethylaminomethyl)phenol, stearate (CAS 64426-45-5) is a chemical compound with molecular formula C69H135N3O7 and molecular weight 1118.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(octadecanoic acid);2,4,6-tris[(dimethylamino)methyl]phenol
Also Known As: 2,4,6-Tris(dimethylaminomethyl)phenol stearic acid salt (1:3), 2,4,6-Tris(dimethylaminomethyl)phenol, stearate, 2,4,6-Tris((Dimethylamino)Methyl)Phenyl Tristearate, stearate2,4,6-tris(dimethylaminomethyl)phenol, 2,4,6-Tris(dimethylaminomethyl)phenol,stearate
| Molecular Formula | C69H135N3O7 |
|---|---|
| Molecular Weight | 1118.03 g/mol |
| LogP | 20.57 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 54 |
| Exact Mass | 1118.03 |
| Heavy Atoms | 79 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 64426-45-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C |
| InChIKey | OGSBMEJBNLIKFH-UHFFFAOYSA-N |
Product Overview
2,4,6-Tris(dimethylaminomethyl)phenol, stearate (CAS 64426-45-5), with molecular formula C69H135N3O7 and molecular weight 1118.03 g/mol. IUPAC: tris(octadecanoic acid);2,4,6-tris[(dimethylamino)methyl]phenol.
Chemical Property Profile of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate
Property Insights of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate
The XLogP value of 20.57 indicates that 2,4,6-Tris(dimethylaminomethyl)phenol, stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 2,4,6-Tris(dimethylaminomethyl)phenol, stearate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Tris(dimethylaminomethyl)phenol, stearate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate?
The CAS number of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate is 64426-45-5.
What is the molecular formula of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate?
The molecular formula of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate is C69H135N3O7.
What is the molecular weight of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate?
The molecular weight of 2,4,6-Tris(dimethylaminomethyl)phenol, stearate is 1118.03 g/mol.
Where can I buy 2,4,6-Tris(dimethylaminomethyl)phenol, stearate?
You can request a quote for 2,4,6-Tris(dimethylaminomethyl)phenol, stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tris(dimethylaminomethyl)phenol, stearate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tris(dimethylaminomethyl)phenol, stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.