RefChem:186644
TL;DR: RefChem:186644 (CAS 70682-71-2) is a chemical compound with molecular formula C55H110N4O6S and molecular weight 954.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-cyanoethyl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide;diethyl sulfate
Also Known As: N,N''-Didocosanoyl-N'-cyanoethyldiethylenetriamine, diethyl sulfate salt, Sulfuric acid, diethyl ester, compd. with N,N'-[[(2-cyanoethyl)imino]di-2,1-ethanediyl]bis[docosanamide] (1:1), diethyl sulfate- n,n'-{[(2-cyanoethyl)imino]diethane-2,1-diyl}didocosanamide(1:1), N,N''-Didocosanoyl-N'-cyanoethyldiethylenetriamine, diethyl sulfatesalt, Sulfuric acid, diethyl ester, compd. with N,N'-(((2-cyanoethyl)imino)di-2,1-ethanediyl)bis(docosanamide) (1:1)
| Molecular Formula | C55H110N4O6S |
|---|---|
| Molecular Weight | 954.81 g/mol |
| LogP | 15.38 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 52 |
| Exact Mass | 954.81464 |
| Heavy Atoms | 66 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 70682-71-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)OCC |
| InChIKey | YVOFDDZGIFJJAQ-UHFFFAOYSA-N |
Product Overview
RefChem:186644 (CAS 70682-71-2), with molecular formula C55H110N4O6S and molecular weight 954.81 g/mol. IUPAC: N-[2-[2-cyanoethyl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide;diethyl sulfate.
Chemical Property Profile of RefChem:186644
Property Insights of RefChem:186644
The XLogP value of 15.38 indicates that RefChem:186644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:186644 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:186644 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:186644?
The CAS number of RefChem:186644 is 70682-71-2.
What is the molecular formula of RefChem:186644?
The molecular formula of RefChem:186644 is C55H110N4O6S.
What is the molecular weight of RefChem:186644?
The molecular weight of RefChem:186644 is 954.81 g/mol.
Where can I buy RefChem:186644?
You can request a quote for RefChem:186644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:186644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:186644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.