RefChem:186645
TL;DR: RefChem:186645 (CAS 70693-75-3) is a chemical compound with molecular formula C47H94N4O6S and molecular weight 842.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide;diethyl sulfate
Also Known As: N,N'-Distearoyl-N''-cyanoethyldiethylenetriamine, diethyl sulfate salt, Sulfuric acid, diethyl ester, compd. with N,N'-[[(2-cyanoethyl)imino]di-2,1-ethanediyl]bis[octadecanamide] (1:1), Sulfuric acid, diethyl ester, compd. with N,N'-(((2-cyanoethyl)imino)di-2,1-ethanediyl)bis(octadecanamide) (1:1), diethyl sulfate- n,n'-{[(2-cyanoethyl)imino]diethane-2,1-diyl}dioctadecanamide(1:1), N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide; diethyl sulfate
| Molecular Formula | C47H94N4O6S |
|---|---|
| Molecular Weight | 842.69 g/mol |
| LogP | 12.26 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 44 |
| Exact Mass | 842.6894 |
| Heavy Atoms | 58 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 70693-75-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)OCC |
| InChIKey | RCLIBJFBPOKHPA-UHFFFAOYSA-N |
Product Overview
RefChem:186645 (CAS 70693-75-3), with molecular formula C47H94N4O6S and molecular weight 842.69 g/mol. IUPAC: N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide;diethyl sulfate.
Chemical Property Profile of RefChem:186645
Property Insights of RefChem:186645
The XLogP value of 12.26 indicates that RefChem:186645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:186645 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:186645 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:186645?
The CAS number of RefChem:186645 is 70693-75-3.
What is the molecular formula of RefChem:186645?
The molecular formula of RefChem:186645 is C47H94N4O6S.
What is the molecular weight of RefChem:186645?
The molecular weight of RefChem:186645 is 842.69 g/mol.
Where can I buy RefChem:186645?
You can request a quote for RefChem:186645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:186645?
Yes, KEHONG BIO provides custom synthesis services for RefChem:186645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.