Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate
TL;DR: Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate (CAS 41604-58-4) is a chemical compound with molecular formula C7H8BrN3O4 and molecular weight 276.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)acetate
Also Known As: Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate, ZERO/005512, methyl 2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)acetate, methyl (5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate, methyl 2-(5-bromo-2-methyl-4-nitroimidazolyl)acetate
| Molecular Formula | C7H8BrN3O4 |
|---|---|
| Molecular Weight | 276.97 g/mol |
| LogP | 1.03522 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.96982 |
| Heavy Atoms | 15 |
| Complexity | 414.61295 |
Chemical Identifiers
| CAS Number | 41604-58-4 |
|---|---|
| SMILES | CC1=NC(=C(N1CC(=O)OC)Br)[N+](=O)[O-] |
Product Overview
Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate (CAS 41604-58-4), with molecular formula C7H8BrN3O4 and molecular weight 276.97 g/mol. IUPAC: methyl 2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)acetate.
Chemical Property Profile of Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate
Property Insights of Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate
The XLogP value of 1.03522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate?
The CAS number of Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate is 41604-58-4.
What is the molecular formula of Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate?
The molecular formula of Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate is C7H8BrN3O4.
What is the molecular weight of Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate?
The molecular weight of Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate is 276.97 g/mol.
Where can I buy Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate?
You can request a quote for Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.