N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
TL;DR: N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (CAS 2281-11-0) is a chemical compound with molecular formula C21H45NO3S and molecular weight 391.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
Also Known As: Zwittergent 3-16, Palmityl sulfobetaine, 3-(N,N-Dimethylpalmitylammonio)propanesulfonate, 3-(Hexadecyldimethylammonio)propane-1-sulfonate, Sulfobetaine 16
| Molecular Formula | C21H45NO3S |
|---|---|
| Molecular Weight | 391.31 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 391.312 |
| Heavy Atoms | 26 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 2281-11-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| InChIKey | TUBRCQBRKJXJEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (CAS 2281-11-0), with molecular formula C21H45NO3S and molecular weight 391.31 g/mol. IUPAC: 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate.
Chemical Property Profile of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
Property Insights of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
The XLogP value of 7.2 indicates that N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate. Following Lipinski's Rule of Five, N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate has 0 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 N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate?
The CAS number of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate is 2281-11-0.
What is the molecular formula of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate?
The molecular formula of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate is C21H45NO3S.
What is the molecular weight of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate?
The molecular weight of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate is 391.31 g/mol.
Where can I buy N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate?
You can request a quote for N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.