1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
TL;DR: 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone (CAS 851805-53-3) is a chemical compound with molecular formula C13H13F3N2OS and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
Also Known As: F0630-1289, 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone, 1-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]ethan-1-one, 1-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone, 1-acetyl-2-{[3-(trifluoromethyl)benzyl]thio}-4,5-dihydro-1H-imidazole
| Molecular Formula | C13H13F3N2OS |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 3.1567 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.07007 |
| Heavy Atoms | 20 |
| Complexity | 542.66296 |
Chemical Identifiers
| CAS Number | 851805-53-3 |
|---|---|
| SMILES | CC(=O)N1CCN=C1SCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone (CAS 851805-53-3), with molecular formula C13H13F3N2OS and molecular weight 302.07 g/mol. IUPAC: 1-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
Chemical Property Profile of 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
Property Insights of 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
The XLogP value of 3.1567 indicates that 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-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-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The CAS number of 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is 851805-53-3.
What is the molecular formula of 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The molecular formula of 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is C13H13F3N2OS.
What is the molecular weight of 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The molecular weight of 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is 302.07 g/mol.
Where can I buy 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
You can request a quote for 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-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-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.