RefChem:138061
TL;DR: RefChem:138061 (CAS 67633-55-0) 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.
2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]azanium;ethyl sulfate
Also Known As: N,N-Bis(ethylisostearamide)-N-cyanoethyl-N-ethylammonium ethosulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxoisooctadecyl)amino]ethyl]-, ethyl sulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxoisooctadecyl)amino)ethyl)-, ethyl sulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxoisooctadecyl)amino)ethyl)-, ethyl sulfate (1:1), 2-cyano-n-ethyl-n,n-bis{2-[(16-methylheptadecanoyl)amino]ethyl}ethanaminium ethyl sulfate
| Molecular Formula | C47H94N4O6S |
|---|---|
| Molecular Weight | 842.69 g/mol |
| LogP | 11.69 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 40 |
| Exact Mass | 842.6894 |
| Heavy Atoms | 58 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 67633-55-0 |
|---|---|
| SMILES | CC[N+](CCC#N)(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CCNC(=O)CCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-] |
| InChIKey | GSNFTCRINXHQCG-UHFFFAOYSA-N |
Product Overview
RefChem:138061 (CAS 67633-55-0), with molecular formula C47H94N4O6S and molecular weight 842.69 g/mol. IUPAC: 2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]azanium;ethyl sulfate.
Chemical Property Profile of RefChem:138061
Property Insights of RefChem:138061
The XLogP value of 11.69 indicates that RefChem:138061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:138061 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138061 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:138061?
The CAS number of RefChem:138061 is 67633-55-0.
What is the molecular formula of RefChem:138061?
The molecular formula of RefChem:138061 is C47H94N4O6S.
What is the molecular weight of RefChem:138061?
The molecular weight of RefChem:138061 is 842.69 g/mol.
Where can I buy RefChem:138061?
You can request a quote for RefChem:138061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138061?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.