1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
TL;DR: 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate (CAS 77279-29-9) is a chemical compound with molecular formula C18H16Cl3N3O4S and molecular weight 474.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)methylsulfinyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Also Known As: 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate, 1-(2-(4-Chlorobenzylsulfinyl)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate, 1-[2-[(4-chlorophenyl)methylsulfinyl]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid, IUPAC: 1-[2-[(4-chlorophenyl)methylsulfinyl]-2-(2,4-dichlorophenyl)ethyl]imidazole; Nitric Acid, Nitric acid--1-{2-[(4-chlorophenyl)methanesulfinyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole (1/1)
| Molecular Formula | C18H16Cl3N3O4S |
|---|---|
| Molecular Weight | 474.99 g/mol |
| LogP | 5.1858 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.9927 |
| Heavy Atoms | 29 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 77279-29-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-] |
| InChIKey | ZWIGBTMIQKQBRO-UHFFFAOYSA-N |
Product Overview
1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate (CAS 77279-29-9), with molecular formula C18H16Cl3N3O4S and molecular weight 474.99 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfinyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid.
Chemical Property Profile of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
Property Insights of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
The XLogP value of 5.1858 indicates that 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate. Following Lipinski's Rule of Five, 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate?
The CAS number of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate is 77279-29-9.
What is the molecular formula of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate?
The molecular formula of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate is C18H16Cl3N3O4S.
What is the molecular weight of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate?
The molecular weight of 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate is 474.99 g/mol.
Where can I buy 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate?
You can request a quote for 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.