![N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium structure](/static/products/3653/36530-91-3.webp)
N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium
TL;DR: N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium (CAS 36530-91-3) is a chemical compound with molecular formula C25H53N2O2+ and molecular weight 413.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
Also Known As: n-n,n-dimethyl-3-[amino]-1-propanaminium, 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium, N- -N,N-dimethyl-3-[ amino]-1-propanaminium, [3-(Octadecanoylamino)propyl](2-hydroxyethyl)dimethylaminium, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-3-[(1-OXO-OCTADECYL)AMINO]-1-PROPANAMINIUM
| Molecular Formula | C25H53N2O2+ |
|---|---|
| Molecular Weight | 413.41 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 413.4107 |
| Heavy Atoms | 29 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 36530-91-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO |
| InChIKey | WYRIQSJBDPBLDQ-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium (CAS 36530-91-3), with molecular formula C25H53N2O2+ and molecular weight 413.41 g/mol. IUPAC: 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium.
Chemical Property Profile of N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium
Property Insights of N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium
The XLogP value of 7.7 indicates that N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium has 2 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 N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium?
The CAS number of N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium is 36530-91-3.
What is the molecular formula of N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium?
The molecular formula of N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium is C25H53N2O2+.
What is the molecular weight of N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium?
The molecular weight of N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium is 413.41 g/mol.
Where can I buy N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium?
You can request a quote for N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.