RefChem:138060
TL;DR: RefChem:138060 (CAS 67633-75-4) 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.
2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethylazanium;ethyl sulfate
Also Known As: Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxodocosyl)amino]ethyl]-, ethyl sulfate, N,N-Dibehenamidoethyl-N-cyanoethyl-N-ethylammonium ethosulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxodocosyl)amino)ethyl)-, ethyl sulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxodocosyl)amino)ethyl)-, ethyl sulfate (1:1), (2-Cyanoethyl)ethylbis(2-((1-oxodocosyl)amino)ethyl)ammonium ethylsulphate
| Molecular Formula | C55H110N4O6S |
|---|---|
| Molecular Weight | 954.81 g/mol |
| LogP | 15.1 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 50 |
| Exact Mass | 954.81464 |
| Heavy Atoms | 66 |
| Complexity | 974.0 |
Chemical Identifiers
| CAS Number | 67633-75-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | VXPGBDUSOZAZHV-UHFFFAOYSA-N |
Product Overview
RefChem:138060 (CAS 67633-75-4), with molecular formula C55H110N4O6S and molecular weight 954.81 g/mol. IUPAC: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethylazanium;ethyl sulfate.
Chemical Property Profile of RefChem:138060
Property Insights of RefChem:138060
The XLogP value of 15.1 indicates that RefChem:138060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:138060 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138060 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138060?
The CAS number of RefChem:138060 is 67633-75-4.
What is the molecular formula of RefChem:138060?
The molecular formula of RefChem:138060 is C55H110N4O6S.
What is the molecular weight of RefChem:138060?
The molecular weight of RefChem:138060 is 954.81 g/mol.
Where can I buy RefChem:138060?
You can request a quote for RefChem:138060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138060?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.