RefChem:77112
TL;DR: RefChem:77112 (CAS 67846-22-4) is a chemical compound with molecular formula C29H62N2O5S and molecular weight 550.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[3-(icosanoylamino)propyl]-dimethylazanium;ethyl sulfate
Also Known As: 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxoeicosyl)amino)-, ethyl sulfate, 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxoeicosyl)amino]-, ethyl sulfate, 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxoeicosyl)amino)-, ethyl sulfate (1:1), n-ethyl-3-(icosanoylamino)-n,n-dimethylpropan-1-aminium ethyl sulfate, ethyl-[3-(icosanoylamino)propyl]-dimethylazanium; ethyl sulfate
| Molecular Formula | C29H62N2O5S |
|---|---|
| Molecular Weight | 550.44 g/mol |
| LogP | 7.11 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 24 |
| Exact Mass | 550.4379 |
| Heavy Atoms | 37 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 67846-22-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-] |
| InChIKey | AYYDGTGVZGAEMB-UHFFFAOYSA-N |
Product Overview
RefChem:77112 (CAS 67846-22-4), with molecular formula C29H62N2O5S and molecular weight 550.44 g/mol. IUPAC: ethyl-[3-(icosanoylamino)propyl]-dimethylazanium;ethyl sulfate.
Chemical Property Profile of RefChem:77112
Property Insights of RefChem:77112
The XLogP value of 7.11 indicates that RefChem:77112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77112. Following Lipinski's Rule of Five, RefChem:77112 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:77112?
The CAS number of RefChem:77112 is 67846-22-4.
What is the molecular formula of RefChem:77112?
The molecular formula of RefChem:77112 is C29H62N2O5S.
What is the molecular weight of RefChem:77112?
The molecular weight of RefChem:77112 is 550.44 g/mol.
Where can I buy RefChem:77112?
You can request a quote for RefChem:77112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.