![Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt structure](/static/products/1092/1092970-14-3.webp)
Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt
TL;DR: Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt (CAS 1092970-14-3) is a chemical compound with molecular formula C22H19BrN2O2S and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylideneprop-1-en-1-olate
Also Known As: Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt, 2-(5-bromopyridin-1-yl)-1-(4-methoxyphenyl)-2-[(3-methylphenyl)thiocarbamoyl]ethenolate, 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylideneprop-1-en-1-olate
| Molecular Formula | C22H19BrN2O2S |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 4.17922 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.03506 |
| Heavy Atoms | 28 |
| Complexity | 1032.7166 |
Chemical Identifiers
| CAS Number | 1092970-14-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC=C(C=C2)OC)[O-])[N+]3=CC=CC(=C3)Br |
Product Overview
Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt (CAS 1092970-14-3), with molecular formula C22H19BrN2O2S and molecular weight 454.04 g/mol. IUPAC: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylideneprop-1-en-1-olate.
Chemical Property Profile of Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt
Property Insights of Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt
The XLogP value of 4.17922 indicates that Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.2 Ų, Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt has 1 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 Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt?
The CAS number of Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt is 1092970-14-3.
What is the molecular formula of Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt?
The molecular formula of Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt is C22H19BrN2O2S.
What is the molecular weight of Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt?
The molecular weight of Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt is 454.04 g/mol.
Where can I buy Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt?
You can request a quote for Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-bromo-1-[2-hydroxy-2-(4-methoxyphenyl)-1-[[(3-methylphenyl)amino]thioxomethyl]ethenyl]-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.