RefChem:138100
TL;DR: RefChem:138100 (CAS 67633-82-3) is a chemical compound with molecular formula C29H59N3O6S and molecular weight 577.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadecanoylamino)ethyl]azanium;ethyl sulfate
Also Known As: N-Stearamidoethyl-N-ethanol-N-cyanoethyl-N-ethylammonium ethosulfate, (2-Cyanoethyl)ethyl(2-hydroxyethyl)(2-((1-oxooctadecyl)amino)ethyl)ammonium ethyl sulphate, Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-((1-oxooctadecyl)amino)-, ethyl sulfate (1:1), Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-((1-oxooctadecyl)amino)-, ethyl sulfate (salt), (2-cyanoethyl)ethyl(2-hydroxyethyl)[2-[(1-oxooctadecyl)amino]ethyl]ammonium ethyl sulphate
| Molecular Formula | C29H59N3O6S |
|---|---|
| Molecular Weight | 577.41 g/mol |
| LogP | 5.59 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 577.4125 |
| Heavy Atoms | 39 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 67633-82-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO.CCOS(=O)(=O)[O-] |
| InChIKey | SMLFYWFPNTYKPW-UHFFFAOYSA-N |
Product Overview
RefChem:138100 (CAS 67633-82-3), with molecular formula C29H59N3O6S and molecular weight 577.41 g/mol. IUPAC: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadecanoylamino)ethyl]azanium;ethyl sulfate.
Chemical Property Profile of RefChem:138100
Property Insights of RefChem:138100
The XLogP value of 5.59 indicates that RefChem:138100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting RefChem:138100 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138100 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:138100?
The CAS number of RefChem:138100 is 67633-82-3.
What is the molecular formula of RefChem:138100?
The molecular formula of RefChem:138100 is C29H59N3O6S.
What is the molecular weight of RefChem:138100?
The molecular weight of RefChem:138100 is 577.41 g/mol.
Where can I buy RefChem:138100?
You can request a quote for RefChem:138100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138100?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.