Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid
TL;DR: Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid (CAS 5398-53-8) is a chemical compound with molecular formula C21H39N2O5S+ and molecular weight 431.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid
Also Known As: dodecyl(trimethyl)azanium; 3-nitrobenzenesulfonic acid, DODECYL-TRIMETHYL-AZANIUM; 3-NITROBENZENESULFONIC ACID
| Molecular Formula | C21H39N2O5S+ |
|---|---|
| Molecular Weight | 431.26 g/mol |
| LogP | 5.455 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 431.25797 |
| Heavy Atoms | 29 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 5398-53-8 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | WDQOKCLMGAYIQR-UHFFFAOYSA-N |
Product Overview
Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid (CAS 5398-53-8), with molecular formula C21H39N2O5S+ and molecular weight 431.26 g/mol. IUPAC: dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid.
Chemical Property Profile of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid
Property Insights of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid
The XLogP value of 5.455 indicates that Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid. Following Lipinski's Rule of Five, Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid?
The CAS number of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid is 5398-53-8.
What is the molecular formula of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid?
The molecular formula of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid is C21H39N2O5S+.
What is the molecular weight of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid?
The molecular weight of Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid is 431.26 g/mol.
Where can I buy Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid?
You can request a quote for Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl(trimethyl)azanium;3-nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.