![3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide structure](/static/products/3988/39888-95-4.webp)
3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide
TL;DR: 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide (CAS 39888-95-4) is a chemical compound with molecular formula C12H12Br2N2O and molecular weight 357.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide
Also Known As: 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide, 1-(4-bromophenyl)-2-(3-methylimidazol-1-yl)ethanone Bromide, 1-(4-bromophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide
| Molecular Formula | C12H12Br2N2O |
|---|---|
| Molecular Weight | 357.93 g/mol |
| LogP | -1.038 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.93164 |
| Heavy Atoms | 17 |
| Complexity | 505.4791 |
Chemical Identifiers
| CAS Number | 39888-95-4 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-] |
Product Overview
3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide (CAS 39888-95-4), with molecular formula C12H12Br2N2O and molecular weight 357.93 g/mol. IUPAC: 1-(4-bromophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide.
Chemical Property Profile of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide
Property Insights of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide
The XLogP value of -1.038 indicates that 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.88 Ų, 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide has 0 hydrogen bond donor(s) and 1 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 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide?
The CAS number of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide is 39888-95-4.
What is the molecular formula of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide?
The molecular formula of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide is C12H12Br2N2O.
What is the molecular weight of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide?
The molecular weight of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide is 357.93 g/mol.
Where can I buy 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide?
You can request a quote for 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.