1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate
TL;DR: 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate (CAS 71821-11-9) is a chemical compound with molecular formula C13H15Cl2N3O4S and molecular weight 379.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,4-dichlorophenyl)-2-(methylsulfanylmethoxy)ethyl]imidazole;nitric acid
Also Known As: 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate, TETRABUTYLAMMONIUM 4-TOLUENESULFONATE, 1-beta-(Methylthiomethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat [German], 1-beta-(Methylthiomethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat, 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((methylthio)methoxy)ethyl)-, mononitrate
| Molecular Formula | C13H15Cl2N3O4S |
|---|---|
| Molecular Weight | 379.02 g/mol |
| LogP | 3.9206 |
| Topological Polar Surface Area | 90.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.01602 |
| Heavy Atoms | 23 |
| Complexity | 609.27203 |
Chemical Identifiers
| CAS Number | 71821-11-9 |
|---|---|
| SMILES | CSCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)(O)[O-] |
Product Overview
1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate (CAS 71821-11-9), with molecular formula C13H15Cl2N3O4S and molecular weight 379.02 g/mol. IUPAC: 1-[2-(2,4-dichlorophenyl)-2-(methylsulfanylmethoxy)ethyl]imidazole;nitric acid.
Chemical Property Profile of 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate
Property Insights of 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate
The XLogP value of 3.9206 indicates that 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate. Following Lipinski's Rule of Five, 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate has 1 hydrogen bond donor(s) and 5 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 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate?
The CAS number of 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate is 71821-11-9.
What is the molecular formula of 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate?
The molecular formula of 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate is C13H15Cl2N3O4S.
What is the molecular weight of 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate?
The molecular weight of 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate is 379.02 g/mol.
Where can I buy 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate?
You can request a quote for 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.