1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
TL;DR: 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone (CAS 851804-55-2) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
Also Known As: ChemDiv3_009449, IDI1_027359, F0630-1168, BRD-K95795829-001-01-3, 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 3.81384 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 774.52057 |
Chemical Identifiers
| CAS Number | 851804-55-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NCCN2C(=O)COC3=CC=CC=C3 |
Product Overview
1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone (CAS 851804-55-2), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone.
Chemical Property Profile of 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
Property Insights of 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
The XLogP value of 3.81384 indicates that 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone has 0 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-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
The CAS number of 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is 851804-55-2.
What is the molecular formula of 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
The molecular formula of 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is C20H22N2O2S.
What is the molecular weight of 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
The molecular weight of 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is 354.14 g/mol.
Where can I buy 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
You can request a quote for 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.