RefChem:138062
TL;DR: RefChem:138062 (CAS 67633-77-6) 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.
2-cyanoethyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium;ethyl sulfate
Also Known As: N,N-Distearylamidoethyl-N-cyanoethyl-N-ethylammonium ethosulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfate (1:1), Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate, (2-Cyanoethyl)ethyl(bis(2-((1-oxooctadecyl)amino)ethyl)ammonium ethyl sulphate
| Molecular Formula | C47H94N4O6S |
|---|---|
| Molecular Weight | 842.69 g/mol |
| LogP | 11.98 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 42 |
| Exact Mass | 842.6894 |
| Heavy Atoms | 58 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 67633-77-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | KHCOUJSHSKIANR-UHFFFAOYSA-N |
Product Overview
RefChem:138062 (CAS 67633-77-6), with molecular formula C47H94N4O6S and molecular weight 842.69 g/mol. IUPAC: 2-cyanoethyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium;ethyl sulfate.
Chemical Property Profile of RefChem:138062
Property Insights of RefChem:138062
The XLogP value of 11.98 indicates that RefChem:138062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:138062 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138062 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:138062?
The CAS number of RefChem:138062 is 67633-77-6.
What is the molecular formula of RefChem:138062?
The molecular formula of RefChem:138062 is C47H94N4O6S.
What is the molecular weight of RefChem:138062?
The molecular weight of RefChem:138062 is 842.69 g/mol.
Where can I buy RefChem:138062?
You can request a quote for RefChem:138062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138062?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.