4,5-dibromo-2-nitro-1H-imidazole
TL;DR: 4,5-dibromo-2-nitro-1H-imidazole (CAS 121816-77-1) is a chemical compound with molecular formula C3HBr2N3O2 and molecular weight 268.84354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dibromo-2-nitro-1H-imidazole
Also Known As: 4,5-dibromo-2-nitro-1H-imidazole, dibromonitroimidazole, G88765
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3HBr2N3O2 |
| Molecular Weight | 268.84354 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.84354 Da |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
| SMILES | C1(=C(N=C(N1)[N+](=O)[O-])Br)Br |
| InChIKey | PLMIUBJSGJTLRD-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-dibromo-2-nitro-1H-imidazole
Property Insights of 4,5-dibromo-2-nitro-1H-imidazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dibromo-2-nitro-1H-imidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dibromo-2-nitro-1H-imidazole. Following Lipinski's Rule of Five, 4,5-dibromo-2-nitro-1H-imidazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-dibromo-2-nitro-1H-imidazole?
The CAS number of 4,5-dibromo-2-nitro-1H-imidazole is 121816-77-1.
What is the molecular formula of 4,5-dibromo-2-nitro-1H-imidazole?
The molecular formula of 4,5-dibromo-2-nitro-1H-imidazole is C3HBr2N3O2.
What is the molecular weight of 4,5-dibromo-2-nitro-1H-imidazole?
The molecular weight of 4,5-dibromo-2-nitro-1H-imidazole is 268.84354 g/mol.
Where can I buy 4,5-dibromo-2-nitro-1H-imidazole?
You can request a quote for 4,5-dibromo-2-nitro-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-dibromo-2-nitro-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 4,5-dibromo-2-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.