RefChem:869011
TL;DR: RefChem:869011 (CAS 68966-61-0) is a chemical compound with molecular formula C49H96N4O8 and molecular weight 868.72284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
acetic acid;N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoylamino]ethyl]octadecanamide
Also Known As: Propanenitrile, 3-[[2-[(2-aminoethyl)amino]ethyl]amino]-, bis(1-oxooctadecyl) deriv., triacetate, Propanenitrile, 3-((2-((2-aminoethyl)amino)ethyl)amino)-, bis(1-oxooctadecyl) deriv., acetate (1:3), n-{2-[(2-cyanoethyl)amino]ethyl}-n-[2-(octadecanoylamino)ethyl]octadecanamide acetate(1:3), Propanenitrile, 3-((2-((2-aminoethyl)amino)ethyl)amino)-, bis(1-oxooctadecyl) deriv, triacetate, Propanenitrile, 3-((2-((2-aminoethyl)amino)ethyl)amino)-, bis(1-oxooctadecyl) deriv., triacetate
Technical Specifications
| Molecular Formula | C49H96N4O8 |
| Molecular Weight | 868.72284 g/mol |
| XLogP | 12.23 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 40 |
| Exact Mass | 868.72284 Da |
| Heavy Atoms | 61 |
| Complexity | 780.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O.CC(=O)O |
| InChIKey | WCXCUWIWOVHDJX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:869011
Property Insights of RefChem:869011
The XLogP value of 12.23 indicates that RefChem:869011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:869011 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:869011 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:869011?
The CAS number of RefChem:869011 is 68966-61-0.
What is the molecular formula of RefChem:869011?
The molecular formula of RefChem:869011 is C49H96N4O8.
What is the molecular weight of RefChem:869011?
The molecular weight of RefChem:869011 is 868.72284 g/mol.
Where can I buy RefChem:869011?
You can request a quote for RefChem:869011 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:869011?
Yes, CoreyChem provides custom synthesis services for RefChem:869011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.