(2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate
TL;DR: (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate (CAS 94467-73-9) is a chemical compound with molecular formula C22H30ClN5O4S and molecular weight 495.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium;methyl sulfate
Also Known As: (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate, 2-(Ethyl(4-((2-cyano-5-chlorophenyl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium methyl sulfate, 2-[{4-[(e)-(5-chloro-2-cyanophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]-n,n,n-trimethylethanaminium methyl sulfate, Ethanaminium, 2-((4-((5-chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate, Ethanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate (1:1)
| Molecular Formula | C22H30ClN5O4S |
|---|---|
| Molecular Weight | 495.17 g/mol |
| LogP | 4.561 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.17072 |
| Heavy Atoms | 33 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 94467-73-9 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)C)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)Cl)C#N)C.COS(=O)(=O)[O-] |
| InChIKey | GVVFWJHJAHHFOX-UHFFFAOYSA-M |
Product Overview
(2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate (CAS 94467-73-9), with molecular formula C22H30ClN5O4S and molecular weight 495.17 g/mol. IUPAC: 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate
Property Insights of (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate
The XLogP value of 4.561 indicates that (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate. Following Lipinski's Rule of Five, (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate has 0 hydrogen bond donor(s) and 8 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 (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate?
The CAS number of (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate is 94467-73-9.
What is the molecular formula of (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate?
The molecular formula of (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate is C22H30ClN5O4S.
What is the molecular weight of (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate?
The molecular weight of (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate is 495.17 g/mol.
Where can I buy (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate?
You can request a quote for (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for (2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.