N,N,N-Trimethylanilinium toluene-p-sulphonate
TL;DR: N,N,N-Trimethylanilinium toluene-p-sulphonate (CAS 51931-01-2) is a chemical compound with molecular formula C16H21NO3S and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;trimethyl(phenyl)azanium
Also Known As: N,N,N-Trimethylanilinium toluene-p-sulphonate, Trimethylphenylammonium tosylate, EINECS 257-519-2, phenyltrimethylammonium p-toluenesulfonate, 4-methylbenzenesulfonate;trimethyl(phenyl)azanium
| Molecular Formula | C16H21NO3S |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 2.78242 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1242 |
| Heavy Atoms | 21 |
| Complexity | 656.91833 |
Chemical Identifiers
| CAS Number | 51931-01-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)C1=CC=CC=C1 |
Product Overview
N,N,N-Trimethylanilinium toluene-p-sulphonate (CAS 51931-01-2), with molecular formula C16H21NO3S and molecular weight 307.12 g/mol. IUPAC: 4-methylbenzenesulfonate;trimethyl(phenyl)azanium.
Chemical Property Profile of N,N,N-Trimethylanilinium toluene-p-sulphonate
Property Insights of N,N,N-Trimethylanilinium toluene-p-sulphonate
The XLogP value of 2.78242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Trimethylanilinium toluene-p-sulphonate. With a topological polar surface area (TPSA) of 57.2 Ų, N,N,N-Trimethylanilinium toluene-p-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethylanilinium toluene-p-sulphonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N,N-Trimethylanilinium toluene-p-sulphonate?
The CAS number of N,N,N-Trimethylanilinium toluene-p-sulphonate is 51931-01-2.
What is the molecular formula of N,N,N-Trimethylanilinium toluene-p-sulphonate?
The molecular formula of N,N,N-Trimethylanilinium toluene-p-sulphonate is C16H21NO3S.
What is the molecular weight of N,N,N-Trimethylanilinium toluene-p-sulphonate?
The molecular weight of N,N,N-Trimethylanilinium toluene-p-sulphonate is 307.12 g/mol.
Where can I buy N,N,N-Trimethylanilinium toluene-p-sulphonate?
You can request a quote for N,N,N-Trimethylanilinium toluene-p-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethylanilinium toluene-p-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethylanilinium toluene-p-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.