Isostearamidopropyl ethyldimonium ethosulfate
TL;DR: Isostearamidopropyl ethyldimonium ethosulfate (CAS 67633-63-0) is a chemical compound with molecular formula C27H58N2O5S and molecular weight 522.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium;ethyl sulfate
Also Known As: FOAMQUAT IAES, MACKERNIUM CC112P9, CORUM 5118, Isostearamidopropyl ethyldimonium ethosulfate, Isostearamidopropyl Ethyldimonium
| Molecular Formula | C27H58N2O5S |
|---|---|
| Molecular Weight | 522.41 g/mol |
| LogP | 6.19 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 522.4066 |
| Heavy Atoms | 35 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 67633-63-0 |
|---|---|
| SMILES | CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-] |
| InChIKey | IMWSVOVXSVRHAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isostearamidopropyl ethyldimonium ethosulfate (CAS 67633-63-0), with molecular formula C27H58N2O5S and molecular weight 522.41 g/mol. IUPAC: ethyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium;ethyl sulfate.
Chemical Property Profile of Isostearamidopropyl ethyldimonium ethosulfate
Property Insights of Isostearamidopropyl ethyldimonium ethosulfate
The XLogP value of 6.19 indicates that Isostearamidopropyl ethyldimonium ethosulfate 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 Isostearamidopropyl ethyldimonium ethosulfate. Following Lipinski's Rule of Five, Isostearamidopropyl ethyldimonium ethosulfate 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 Isostearamidopropyl ethyldimonium ethosulfate?
The CAS number of Isostearamidopropyl ethyldimonium ethosulfate is 67633-63-0.
What is the molecular formula of Isostearamidopropyl ethyldimonium ethosulfate?
The molecular formula of Isostearamidopropyl ethyldimonium ethosulfate is C27H58N2O5S.
What is the molecular weight of Isostearamidopropyl ethyldimonium ethosulfate?
The molecular weight of Isostearamidopropyl ethyldimonium ethosulfate is 522.41 g/mol.
Where can I buy Isostearamidopropyl ethyldimonium ethosulfate?
You can request a quote for Isostearamidopropyl ethyldimonium ethosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isostearamidopropyl ethyldimonium ethosulfate?
Yes, KEHONG BIO provides custom synthesis services for Isostearamidopropyl ethyldimonium ethosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.