RefChem:855700
TL;DR: RefChem:855700 (CAS 94333-52-5) is a chemical compound with molecular formula C43H84N4O2 and molecular weight 688.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoylamino]ethyl]octadecanamide
Also Known As: Stearic acid, bisamide with cyanoethyldiethylenetriamine, N-(2-((2-Cyanoethyl)amino)ethyl)-N-(2-(stearoylamino)ethyl)stearamide, N-[2-[(2-CYANOETHYL)AMINO]ETHYL]-N-[2-(STEAROYLAMINO)ETHYL]STEARAMIDE, Stearic acid diamide with 3-((2-((2-aminoethyl)amino)ethyl)amino)propanenitrile, Octadecanoic acid, diamide with 3-((2-((2-aminoethyl)amino)ethyl)amino)propanenitrile
| Molecular Formula | C43H84N4O2 |
|---|---|
| Molecular Weight | 688.66 g/mol |
| LogP | 15.1 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 40 |
| Exact Mass | 688.6594 |
| Heavy Atoms | 49 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 94333-52-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | GSDRHHBTWYHUJM-UHFFFAOYSA-N |
Product Overview
RefChem:855700 (CAS 94333-52-5), with molecular formula C43H84N4O2 and molecular weight 688.66 g/mol. IUPAC: N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoylamino]ethyl]octadecanamide.
Chemical Property Profile of RefChem:855700
Property Insights of RefChem:855700
The XLogP value of 15.1 indicates that RefChem:855700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:855700. Following Lipinski's Rule of Five, RefChem:855700 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:855700?
The CAS number of RefChem:855700 is 94333-52-5.
What is the molecular formula of RefChem:855700?
The molecular formula of RefChem:855700 is C43H84N4O2.
What is the molecular weight of RefChem:855700?
The molecular weight of RefChem:855700 is 688.66 g/mol.
Where can I buy RefChem:855700?
You can request a quote for RefChem:855700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:855700?
Yes, KEHONG BIO provides custom synthesis services for RefChem:855700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.