5-Chloro-1-methyl-4-nitroimidazole
TL;DR: 5-Chloro-1-methyl-4-nitroimidazole (CAS 4897-25-0) is a chemical compound with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methyl-4-nitroimidazole
Also Known As: 5-CHLORO-1-METHYL-4-NITROIMIDAZOLE, PCMNI, 5-Chloro-1-methyl-4-nitro-1H-imidazole, Azathioprinum, CMNI
| Molecular Formula | C4H4ClN3O2 |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9992 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
| Solubility | >24.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4897-25-0 |
|---|---|
| SMILES | CN1C=NC(=C1Cl)[N+](=O)[O-] |
| InChIKey | OSJUNMSWBBOTQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-1-methyl-4-nitroimidazole (CAS 4897-25-0), with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol. IUPAC: 5-chloro-1-methyl-4-nitroimidazole.
Chemical Property Profile of 5-Chloro-1-methyl-4-nitroimidazole
Property Insights of 5-Chloro-1-methyl-4-nitroimidazole
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-methyl-4-nitroimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-1-methyl-4-nitroimidazole. Following Lipinski's Rule of Five, 5-Chloro-1-methyl-4-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 5-Chloro-1-methyl-4-nitroimidazole?
The CAS number of 5-Chloro-1-methyl-4-nitroimidazole is 4897-25-0.
What is the molecular formula of 5-Chloro-1-methyl-4-nitroimidazole?
The molecular formula of 5-Chloro-1-methyl-4-nitroimidazole is C4H4ClN3O2.
What is the molecular weight of 5-Chloro-1-methyl-4-nitroimidazole?
The molecular weight of 5-Chloro-1-methyl-4-nitroimidazole is 161.00 g/mol.
Where can I buy 5-Chloro-1-methyl-4-nitroimidazole?
You can request a quote for 5-Chloro-1-methyl-4-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-methyl-4-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-methyl-4-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.