RefChem:167631
TL;DR: RefChem:167631 (CAS 67952-48-1) is a chemical compound with molecular formula C44H90N2O7S and molecular weight 790.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl hydrogen sulfate;2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl octadecanoate
Also Known As: Ethyl-2-stearamidoethyl-2-stearoyloxyethylammonium ethosulfate, 2-(Ethyl(2-((1-oxostearyl)amino)ethyl)amino)ethyl stearate mono(ethyl sulfate), 2-[ethyl[2-(stearoylamino)ethyl]amino]ethyl stearate mono(ethyl sulphate), Octadecanoic acid, 2-(ethyl(2-((1-oxooctadecyl)amino)ethyl)amino)ethyl ester, ethyl sulfate (1:1), Octadecanoic acid, 2-(ethyl(2-((1-oxooctadecyl)amino)ethyl)amino)ethyl ester, mono(ethyl sulfate)
| Molecular Formula | C44H90N2O7S |
|---|---|
| Molecular Weight | 790.65 g/mol |
| LogP | 12.32 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 42 |
| Exact Mass | 790.64685 |
| Heavy Atoms | 54 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 67952-48-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCOC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)O |
| InChIKey | IVOWPGOAEHSEBW-UHFFFAOYSA-N |
Product Overview
RefChem:167631 (CAS 67952-48-1), with molecular formula C44H90N2O7S and molecular weight 790.65 g/mol. IUPAC: ethyl hydrogen sulfate;2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl octadecanoate.
Chemical Property Profile of RefChem:167631
Property Insights of RefChem:167631
The XLogP value of 12.32 indicates that RefChem:167631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:167631. Following Lipinski's Rule of Five, RefChem:167631 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:167631?
The CAS number of RefChem:167631 is 67952-48-1.
What is the molecular formula of RefChem:167631?
The molecular formula of RefChem:167631 is C44H90N2O7S.
What is the molecular weight of RefChem:167631?
The molecular weight of RefChem:167631 is 790.65 g/mol.
Where can I buy RefChem:167631?
You can request a quote for RefChem:167631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.