2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate
TL;DR: 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate (CAS 13470-50-3) is a chemical compound with molecular formula C42H85N3O5S and molecular weight 743.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;methyl sulfate
Also Known As: Culversoft S 75, Culsoft S 75, Caswell No. 475, EPA Pesticide Chemical Code 046619, 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate
| Molecular Formula | C42H85N3O5S |
|---|---|
| Molecular Weight | 743.62 g/mol |
| LogP | 11.58 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 35 |
| Exact Mass | 743.621 |
| Heavy Atoms | 51 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 13470-50-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-] |
| InChIKey | IOIXBUJAKFHCBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate (CAS 13470-50-3), with molecular formula C42H85N3O5S and molecular weight 743.62 g/mol. IUPAC: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;methyl sulfate.
Chemical Property Profile of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate
Property Insights of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate
The XLogP value of 11.58 indicates that 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate. Following Lipinski's Rule of Five, 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate?
The CAS number of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate is 13470-50-3.
What is the molecular formula of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate?
The molecular formula of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate is C42H85N3O5S.
What is the molecular weight of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate?
The molecular weight of 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate is 743.62 g/mol.
Where can I buy 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate?
You can request a quote for 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.