1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-
TL;DR: 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- (CAS 108930-53-6) is a chemical compound with molecular formula C21H46NO3S+ and molecular weight 392.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl-dimethyl-(3-sulfopropyl)azanium
Also Known As: Hexadecyl-dimethyl-(3-sulfopropyl)azanium, 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, HEXADECYLDIMETHYL(3-SULFOPROPYL)AZANIUM, 281H110, 1-Hexadecanaminium,N,N-dimethyl-N-(3-sulfopropyl)
| Molecular Formula | C21H46NO3S+ |
|---|---|
| Molecular Weight | 392.32 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 392.31985 |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 108930-53-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O |
| InChIKey | TUBRCQBRKJXJEA-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- (CAS 108930-53-6), with molecular formula C21H46NO3S+ and molecular weight 392.32 g/mol. IUPAC: hexadecyl-dimethyl-(3-sulfopropyl)azanium.
Chemical Property Profile of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-
Property Insights of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-
The XLogP value of 7.3 indicates that 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-. Following Lipinski's Rule of Five, 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-?
The CAS number of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- is 108930-53-6.
What is the molecular formula of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-?
The molecular formula of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- is C21H46NO3S+.
What is the molecular weight of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-?
The molecular weight of 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- is 392.32 g/mol.
Where can I buy 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-?
You can request a quote for 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.