2,5-Dibromo-1-methoxymethyl-4-nitroimidazole
TL;DR: 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole (CAS 112995-70-7) is a chemical compound with molecular formula C5H5Br2N3O3 and molecular weight 312.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-1-(methoxymethyl)-4-nitroimidazole
Also Known As: 2,5-dibromo-1-methoxymethyl-4-nitroimidazole, Imidazole, 2,5-dibromo-1-methoxymethyl-4-nitro-, 1-methoxymethyl-2,5-dibromo-4-nitroimidazole, 2,5-dibromo-1-(methoxymethyl)-4-nitroimidazole, (2,5-Dibromo-4-nitro-1H-imidazol-1-yl)methyl methyl ether #
| Molecular Formula | C5H5Br2N3O3 |
|---|---|
| Molecular Weight | 312.87 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.86978 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 112995-70-7 |
|---|---|
| SMILES | COCN1C(=C(N=C1Br)[N+](=O)[O-])Br |
| InChIKey | BEVKIYYVMONLTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dibromo-1-methoxymethyl-4-nitroimidazole (CAS 112995-70-7), with molecular formula C5H5Br2N3O3 and molecular weight 312.87 g/mol. IUPAC: 2,5-dibromo-1-(methoxymethyl)-4-nitroimidazole.
Chemical Property Profile of 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole
Property Insights of 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole. Following Lipinski's Rule of Five, 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole has 0 hydrogen bond donor(s) and 4 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 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole?
The CAS number of 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole is 112995-70-7.
What is the molecular formula of 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole?
The molecular formula of 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole is C5H5Br2N3O3.
What is the molecular weight of 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole?
The molecular weight of 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole is 312.87 g/mol.
Where can I buy 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole?
You can request a quote for 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dibromo-1-methoxymethyl-4-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.