C16H19N2.C7H7O3S
TL;DR: C16H19N2.C7H7O3S (CAS 33006-24-5) is a chemical compound with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-methylbenzenesulfonate
Also Known As: 2-[p-(dimethylamino)styryl]-1-methylpyridinium toluene-p-sulphonate, Pyridinium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1-methyl-, 4-methylbenzenesulfonate (1:1), Pyridinium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C23H26N2O3S |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 3.65 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.1664 |
| Heavy Atoms | 29 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 33006-24-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C |
| InChIKey | PYYQQLHMGIKUEM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C16H19N2.C7H7O3S (CAS 33006-24-5), with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol. IUPAC: N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-methylbenzenesulfonate.
Chemical Property Profile of C16H19N2.C7H7O3S
Property Insights of C16H19N2.C7H7O3S
The XLogP value of 3.65 indicates that C16H19N2.C7H7O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H19N2.C7H7O3S. Following Lipinski's Rule of Five, C16H19N2.C7H7O3S has 0 hydrogen bond donor(s) and 4 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 C16H19N2.C7H7O3S?
The CAS number of C16H19N2.C7H7O3S is 33006-24-5.
What is the molecular formula of C16H19N2.C7H7O3S?
The molecular formula of C16H19N2.C7H7O3S is C23H26N2O3S.
What is the molecular weight of C16H19N2.C7H7O3S?
The molecular weight of C16H19N2.C7H7O3S is 410.17 g/mol.
Where can I buy C16H19N2.C7H7O3S?
You can request a quote for C16H19N2.C7H7O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H19N2.C7H7O3S?
Yes, KEHONG BIO provides custom synthesis services for C16H19N2.C7H7O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.