1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone
TL;DR: 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone (CAS 138335-97-4) is a chemical compound with molecular formula C7H9BrN2OS and molecular weight 247.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethanone
Also Known As: 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone, 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethanone, 1-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)ethanone, 1-[4-Bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]ethan-1-one, RefChem:225679
| Molecular Formula | C7H9BrN2OS |
|---|---|
| Molecular Weight | 247.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.9619 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 138335-97-4 |
|---|---|
| SMILES | CC(=O)C1=C(N=C(N1C)SC)Br |
| InChIKey | BJOPKSBBPUHLLW-UHFFFAOYSA-N |
Product Overview
1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone (CAS 138335-97-4), with molecular formula C7H9BrN2OS and molecular weight 247.96 g/mol. IUPAC: 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethanone.
Chemical Property Profile of 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone
Property Insights of 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone. Following Lipinski's Rule of Five, 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)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-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone?
The CAS number of 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone is 138335-97-4.
What is the molecular formula of 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone?
The molecular formula of 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone is C7H9BrN2OS.
What is the molecular weight of 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone?
The molecular weight of 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone is 247.96 g/mol.
Where can I buy 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone?
You can request a quote for 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.