RefChem:118044
TL;DR: RefChem:118044 (CAS 68425-92-3) is a chemical compound with molecular formula C31H60N3O6S- and molecular weight 602.4203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[2-[bis(2-hydroxypropyl)amino]ethylamino]ethylamino]propan-2-ol;3-dodecylbenzenesulfonate
Also Known As: Dodecylbenzenesulfonic acid, tris(2-hydroxypropyl)diethylenetriammonium salt, 3-dodecylbenzenesulfonate; 1-[2-hydroxypropyl-[2-[2-(2-hydroxypropylamino)ethylamino]ethyl]amino]propan-2-ol, Benzenesulfonic acid, dodecyl-, compd. with 1,1'-((2-((2-((2-hydroxypropyl)amino)ethyl)amino)ethyl)imino)bis(2-propanol) (1:1), 1-[2-[2-[bis(2-hydroxypropyl)amino]ethylamino]ethylamino]propan-2-ol; 3-dodecylbenzenesulfonate, Benzenesulfonic acid, dodecyl-, compd. with 1,1'-[[2-[[2-[(2-hydroxypropyl)amino]ethyl]amino]ethyl]imino]bis[2-propanol] (1:1)
Technical Specifications
| Molecular Formula | C31H60N3O6S- |
| Molecular Weight | 602.4203 g/mol |
| XLogP | 3.66 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 602.4203 Da |
| Heavy Atoms | 41 |
| Complexity | 543.0 |
| SMILES | CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CC(CNCCNCCN(CC(C)O)CC(C)O)O |
| InChIKey | NCKNWWJHFFAVMU-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118044
Property Insights of RefChem:118044
The XLogP value of 3.66 indicates that RefChem:118044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:118044 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118044 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118044?
The CAS number of RefChem:118044 is 68425-92-3.
What is the molecular formula of RefChem:118044?
The molecular formula of RefChem:118044 is C31H60N3O6S-.
What is the molecular weight of RefChem:118044?
The molecular weight of RefChem:118044 is 602.4203 g/mol.
Where can I buy RefChem:118044?
You can request a quote for RefChem:118044 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118044?
Yes, CoreyChem provides custom synthesis services for RefChem:118044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.