1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride
TL;DR: 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride (CAS 75112-65-1) is a chemical compound with molecular formula C22H22BrClN6O4 and molecular weight 548.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride
Also Known As: 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride, 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-m-tolyl)ethylamino)ethyl)pyridinium chloride, Pyridinium, 1-(2-((4-((2-bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)-, chloride, Pyridinium, 1-(2-((4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-3-methylphenyl)ethylamino)ethyl)-, chloride (1:1), 1-{2-[{4-[(e)-(2-bromo-4,6-dinitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}pyridinium chloride
| Molecular Formula | C22H22BrClN6O4 |
|---|---|
| Molecular Weight | 548.06 g/mol |
| LogP | 2.80732 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.05743 |
| Heavy Atoms | 34 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 75112-65-1 |
|---|---|
| SMILES | CCN(CC[N+]1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-])C.[Cl-] |
| InChIKey | BZSGZDPYHAANQD-UHFFFAOYSA-M |
Product Overview
1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride (CAS 75112-65-1), with molecular formula C22H22BrClN6O4 and molecular weight 548.06 g/mol. IUPAC: 4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride.
Chemical Property Profile of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride
Property Insights of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride
The XLogP value of 2.80732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride. Following Lipinski's Rule of Five, 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride?
The CAS number of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride is 75112-65-1.
What is the molecular formula of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride?
The molecular formula of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride is C22H22BrClN6O4.
What is the molecular weight of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride?
The molecular weight of 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride is 548.06 g/mol.
Where can I buy 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride?
You can request a quote for 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.