2-Chloro-1-methyl-5-nitro-1H-imidazole
TL;DR: 2-Chloro-1-methyl-5-nitro-1H-imidazole (CAS 86072-07-3) 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.
2-chloro-1-methyl-5-nitroimidazole
Also Known As: 2-CHLORO-1-METHYL-5-NITRO-1H-IMIDAZOLE, 2-chloro-1-methyl-5-nitroimidazole, 2-CHLORO-1-METHYL-5-NITRO-IMIDAZOLE, 1H-Imidazole,2-chloro-1-methyl-5-nitro-, J1.590.072E
| Molecular Formula | C4H4ClN3O2 |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | 0.6 |
| 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 |
Chemical Identifiers
| CAS Number | 86072-07-3 |
|---|---|
| SMILES | CN1C(=CN=C1Cl)[N+](=O)[O-] |
| InChIKey | IYVKWWTVJQDECA-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-methyl-5-nitro-1H-imidazole (CAS 86072-07-3), with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol. IUPAC: 2-chloro-1-methyl-5-nitroimidazole.
Chemical Property Profile of 2-Chloro-1-methyl-5-nitro-1H-imidazole
Property Insights of 2-Chloro-1-methyl-5-nitro-1H-imidazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-methyl-5-nitro-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-1-methyl-5-nitro-1H-imidazole. Following Lipinski's Rule of Five, 2-Chloro-1-methyl-5-nitro-1H-imidazole 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 2-Chloro-1-methyl-5-nitro-1H-imidazole?
The CAS number of 2-Chloro-1-methyl-5-nitro-1H-imidazole is 86072-07-3.
What is the molecular formula of 2-Chloro-1-methyl-5-nitro-1H-imidazole?
The molecular formula of 2-Chloro-1-methyl-5-nitro-1H-imidazole is C4H4ClN3O2.
What is the molecular weight of 2-Chloro-1-methyl-5-nitro-1H-imidazole?
The molecular weight of 2-Chloro-1-methyl-5-nitro-1H-imidazole is 161.00 g/mol.
Where can I buy 2-Chloro-1-methyl-5-nitro-1H-imidazole?
You can request a quote for 2-Chloro-1-methyl-5-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-methyl-5-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-methyl-5-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.