1-(2-Chloroethyl)-2-methyl-5-nitroimidazole
TL;DR: 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole (CAS 13182-81-5) 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.
1-(2-chloroethyl)-2-methyl-5-nitroimidazole
Also Known As: 1-(2-Chloroethyl)-2-methyl-5-nitro-1H-imidazole, 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole, Chlorometronidazole, 1-(2-chloroethyl)-2-methyl-5-nitro-imidazol, 5,6-Difluoropyridine-2-carboxylicacid
| Molecular Formula | C6H8ClN3O2 |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | 0.9 |
| 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 | 13182-81-5 |
|---|---|
| SMILES | CC1=NC=C(N1CCCl)[N+](=O)[O-] |
| InChIKey | FSFWMJBQLWFXSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)-2-methyl-5-nitroimidazole (CAS 13182-81-5), with molecular formula C6H8ClN3O2 and molecular weight 189.03 g/mol. IUPAC: 1-(2-chloroethyl)-2-methyl-5-nitroimidazole.
Chemical Property Profile of 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole
Property Insights of 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole 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 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole?
The CAS number of 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole is 13182-81-5.
What is the molecular formula of 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole?
The molecular formula of 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole is C6H8ClN3O2.
What is the molecular weight of 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole?
The molecular weight of 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole is 189.03 g/mol.
Where can I buy 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole?
You can request a quote for 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.