![1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone structure](/static/products/3132/313240-00-5.webp)
1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone
TL;DR: 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone (CAS 313240-00-5) is a chemical compound with molecular formula C12H11BrN2OS and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
Also Known As: BIM-0006751.P001, 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone, 1-(4-bromo-phenyl)-2-(1-methyl-1H-imidazol-2-ylsulfanyl)-ethanone, 1-(4-bromophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone, 1-(4-bromophenyl)-2-(1-methylimidazol-2-ylthio)ethan-1-one
| Molecular Formula | C12H11BrN2OS |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 3.1576 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.97754 |
| Heavy Atoms | 17 |
| Complexity | 521.5568 |
Chemical Identifiers
| CAS Number | 313240-00-5 |
|---|---|
| SMILES | CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)Br |
Product Overview
1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone (CAS 313240-00-5), with molecular formula C12H11BrN2OS and molecular weight 309.98 g/mol. IUPAC: 1-(4-bromophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone
Property Insights of 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone
The XLogP value of 3.1576 indicates that 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone 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 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone?
The CAS number of 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone is 313240-00-5.
What is the molecular formula of 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone?
The molecular formula of 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone is C12H11BrN2OS.
What is the molecular weight of 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone?
The molecular weight of 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone is 309.98 g/mol.
Where can I buy 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone?
You can request a quote for 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.