RefChem:138059
TL;DR: RefChem:138059 (CAS 68109-98-8) is a chemical compound with molecular formula C32H63N5O5S and molecular weight 629.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(octadecanoylamino)ethyl]azanium;ethyl sulfate
Also Known As: Ethanaminium, 2-cyano-N-(2-((2-cyanoethyl)amino)ethyl)-N-ethyl-N-(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfate, Ethanaminium, 2-cyano-N-(2-((2-cyanoethyl)amino)ethyl)-N-ethyl-N-(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfate (1:1), (2-Cyanoethyl)(2-((2-cyanoethyl)amino)ethyl)ethyl(((1-oxooctadecyl)amino)ethyl)ammonium ethyl sulphate, (2-Cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]ethyl[(1-oxooctadecyl)amino]ethyl]ammonium ethyl sulfate, 2-cyano-n-{2-[(2-cyanoethyl)amino]ethyl}-n-ethyl-n-[2-(octadecanoylamino)ethyl]ethanaminium ethyl sulfate
| Molecular Formula | C32H63N5O5S |
|---|---|
| Molecular Weight | 629.46 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 28 |
| Exact Mass | 629.455 |
| Heavy Atoms | 43 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 68109-98-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNCCC#N.CCOS(=O)(=O)[O-] |
| InChIKey | RYYWFBAJSDFMSG-UHFFFAOYSA-N |
Product Overview
RefChem:138059 (CAS 68109-98-8), with molecular formula C32H63N5O5S and molecular weight 629.46 g/mol. IUPAC: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(octadecanoylamino)ethyl]azanium;ethyl sulfate.
Chemical Property Profile of RefChem:138059
Property Insights of RefChem:138059
The XLogP value of 6.1 indicates that RefChem:138059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:138059 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138059 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:138059?
The CAS number of RefChem:138059 is 68109-98-8.
What is the molecular formula of RefChem:138059?
The molecular formula of RefChem:138059 is C32H63N5O5S.
What is the molecular weight of RefChem:138059?
The molecular weight of RefChem:138059 is 629.46 g/mol.
Where can I buy RefChem:138059?
You can request a quote for RefChem:138059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138059?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.