Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-
TL;DR: Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- (CAS 23571-50-8) is a chemical compound with molecular formula C6H8ClN3O2 and molecular weight 189.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroethyl)-1-methyl-2-nitroimidazole
Also Known As: 5-(2-Chloroethyl)-1-methyl-2-nitroimidazole, Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-, 5- -1-methyl-2-nitro-1H-imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-1h-imidazole, 1H-Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-
| Molecular Formula | C6H8ClN3O2 |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.0305 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 23571-50-8 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])CCCl |
| InChIKey | WYZIGOITRAONMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- (CAS 23571-50-8), with molecular formula C6H8ClN3O2 and molecular weight 189.03 g/mol. IUPAC: 5-(2-chloroethyl)-1-methyl-2-nitroimidazole.
Chemical Property Profile of Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-
Property Insights of Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-. Following Lipinski's Rule of Five, Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- has 0 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 Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-?
The CAS number of Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- is 23571-50-8.
What is the molecular formula of Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-?
The molecular formula of Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- is C6H8ClN3O2.
What is the molecular weight of Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-?
The molecular weight of Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- is 189.03 g/mol.
Where can I buy Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-?
You can request a quote for Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.