RefChem:138107
TL;DR: RefChem:138107 (CAS 68189-22-0) is a chemical compound with molecular formula C47H94N4O6S and molecular weight 842.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis[2-(octadecanoylamino)ethyl]amino]-N-ethylpropanenitrilium;ethyl sulfate
Also Known As: Ethanaminium, N-(3-(bis(2-((1-oxooctadecyl)amino)ethyl)amino)propylidyne)-, ethyl sulfate, Ethanaminium, N-[3-[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]propylidyne]-, ethyl sulfate, Ethanaminium, N-(3-(bis(2-((1-oxooctadecyl)amino)ethyl)amino)propylidyne)-, ethyl sulfate (1:1), (3-(Bis(2-((1-oxooctadecyl)amino)ethyl)amino)propylidyne)ethylammonium ethyl sulphate, [3-[bis[2-[ amino]ethyl]amino]propylidyne]ethylammoniumethylsulphate
| Molecular Formula | C47H94N4O6S |
|---|---|
| Molecular Weight | 842.69 g/mol |
| LogP | 12.2698 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 41 |
| Exact Mass | 842.6894 |
| Heavy Atoms | 58 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 68189-22-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#[N+]CC)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | HRXITENIGSVCFD-UHFFFAOYSA-N |
Product Overview
RefChem:138107 (CAS 68189-22-0), with molecular formula C47H94N4O6S and molecular weight 842.69 g/mol. IUPAC: 3-[bis[2-(octadecanoylamino)ethyl]amino]-N-ethylpropanenitrilium;ethyl sulfate.
Chemical Property Profile of RefChem:138107
Property Insights of RefChem:138107
The XLogP value of 12.2698 indicates that RefChem:138107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:138107 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138107 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:138107?
The CAS number of RefChem:138107 is 68189-22-0.
What is the molecular formula of RefChem:138107?
The molecular formula of RefChem:138107 is C47H94N4O6S.
What is the molecular weight of RefChem:138107?
The molecular weight of RefChem:138107 is 842.69 g/mol.
Where can I buy RefChem:138107?
You can request a quote for RefChem:138107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138107?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.