4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole
TL;DR: 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole (CAS 91027-94-0) is a chemical compound with molecular formula C5H6ClN3O2 and molecular weight 175.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,2-dimethyl-5-nitroimidazole
Also Known As: 4-CHLORO-1,2-DIMETHYL-5-NITRO-1H-IMIDAZOLE, 4-chloro-1,2-dimethyl-5-nitroimidazole, J1.588.638B
| Molecular Formula | C5H6ClN3O2 |
|---|---|
| Molecular Weight | 175.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.01485 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 91027-94-0 |
|---|---|
| SMILES | CC1=NC(=C(N1C)[N+](=O)[O-])Cl |
| InChIKey | AKVOFUOUPZWOIB-UHFFFAOYSA-N |
Product Overview
4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole (CAS 91027-94-0), with molecular formula C5H6ClN3O2 and molecular weight 175.01 g/mol. IUPAC: 4-chloro-1,2-dimethyl-5-nitroimidazole.
Chemical Property Profile of 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole
Property Insights of 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole. Following Lipinski's Rule of Five, 4-Chloro-1,2-dimethyl-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 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole?
The CAS number of 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole is 91027-94-0.
What is the molecular formula of 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole?
The molecular formula of 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole is C5H6ClN3O2.
What is the molecular weight of 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole?
The molecular weight of 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole is 175.01 g/mol.
Where can I buy 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole?
You can request a quote for 4-Chloro-1,2-dimethyl-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 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,2-dimethyl-5-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.