RefChem:138099
TL;DR: RefChem:138099 (CAS 67633-71-0) is a chemical compound with molecular formula C33H67N3O6S and molecular weight 633.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)azanium;ethyl sulfate
Also Known As: N-Behenamidoethyl-N-cyanoethyl-N-ethyl-N-ethanol ammonium ethosulfate, Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-((1-oxodocosyl)amino)-, ethyl sulfate (salt), Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-((1-oxodocosyl)amino)-, ethyl sulfate (1:1), 2-cyano-n-[2-(docosanoylamino)ethyl]-n-ethyl-n-(2-hydroxyethyl)ethanaminium ethyl sulfate, Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-[(1-oxodocosyl)amino]-, ethyl sulfate (1:1)
| Molecular Formula | C33H67N3O6S |
|---|---|
| Molecular Weight | 633.48 g/mol |
| LogP | 7.15 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 29 |
| Exact Mass | 633.47504 |
| Heavy Atoms | 43 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 67633-71-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO.CCOS(=O)(=O)[O-] |
| InChIKey | KOPZFHKWOLUJHR-UHFFFAOYSA-N |
Product Overview
RefChem:138099 (CAS 67633-71-0), with molecular formula C33H67N3O6S and molecular weight 633.48 g/mol. IUPAC: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)azanium;ethyl sulfate.
Chemical Property Profile of RefChem:138099
Property Insights of RefChem:138099
The XLogP value of 7.15 indicates that RefChem:138099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting RefChem:138099 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138099 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:138099?
The CAS number of RefChem:138099 is 67633-71-0.
What is the molecular formula of RefChem:138099?
The molecular formula of RefChem:138099 is C33H67N3O6S.
What is the molecular weight of RefChem:138099?
The molecular weight of RefChem:138099 is 633.48 g/mol.
Where can I buy RefChem:138099?
You can request a quote for RefChem:138099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138099?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.