![2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium structure](/static/products/4785/47857-32-9.webp)
2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium
TL;DR: 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium (CAS 47857-32-9) is a chemical compound with molecular formula C41H82N3O+ and molecular weight 632.65 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
Also Known As: 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium, N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide, [2-Heptadecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxooctadecyl)amino]ethyl]-1H-imidazol]-1-ium, 2-Heptadecyl-1-methyl-1-(2-octadecanamidoethyl)-4,5-dihydro-1H-imidazol-1-ium, N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide
| Molecular Formula | C41H82N3O+ |
|---|---|
| Molecular Weight | 632.65 g/mol |
| LogP | 15.9 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 35 |
| Exact Mass | 632.6458 |
| Heavy Atoms | 45 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 47857-32-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | AOTKZOKIEYQRQM-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium (CAS 47857-32-9), with molecular formula C41H82N3O+ and molecular weight 632.65 g/mol. IUPAC: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide.
Chemical Property Profile of 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium
Property Insights of 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium
The XLogP value of 15.9 indicates that 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium has 1 hydrogen bond donor(s) and 2 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-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium?
The CAS number of 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium is 47857-32-9.
What is the molecular formula of 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium?
The molecular formula of 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium is C41H82N3O+.
What is the molecular weight of 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium?
The molecular weight of 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium is 632.65 g/mol.
Where can I buy 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium?
You can request a quote for 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium 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-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.