![1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone structure](/static/products/3384/338422-49-4.webp)
1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone
TL;DR: 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone (CAS 338422-49-4) is a chemical compound with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
Also Known As: 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone, 1-(4-Chlorophenyl)-2-((5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone, chlorophenylhydroxymethylmethylimidazolylsulfanylethanone, 1-(4-Chlorophenyl)-2-((5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl)thio)ethan-1-one
| Molecular Formula | C13H13ClN2O2S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 2.5408 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.03864 |
| Heavy Atoms | 19 |
| Complexity | 580.8292 |
Chemical Identifiers
| CAS Number | 338422-49-4 |
|---|---|
| SMILES | CN1C(=CN=C1SCC(=O)C2=CC=C(C=C2)Cl)CO |
Product Overview
1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone (CAS 338422-49-4), with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone
Property Insights of 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone
The XLogP value of 2.5408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone has 1 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 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone?
The CAS number of 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone is 338422-49-4.
What is the molecular formula of 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone is C13H13ClN2O2S.
What is the molecular weight of 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone is 296.04 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-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-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.