2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
TL;DR: 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone (CAS 851865-31-1) is a chemical compound with molecular formula C20H21FN2O3S and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
Also Known As: 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone, F0630-0348, 2-(3,4-dimethoxyphenyl)-1-(2-{[(3-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one, 2-(3,4-dimethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
| Molecular Formula | C20H21FN2O3S |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 3.517 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.1257 |
| Heavy Atoms | 27 |
| Complexity | 856.8705 |
Chemical Identifiers
| CAS Number | 851865-31-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)N2CCN=C2SCC3=CC(=CC=C3)F)OC |
Product Overview
2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone (CAS 851865-31-1), with molecular formula C20H21FN2O3S and molecular weight 388.13 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
Chemical Property Profile of 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
Property Insights of 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
The XLogP value of 3.517 indicates that 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)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 51.13 Ų, 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)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, 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 5 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 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The CAS number of 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is 851865-31-1.
What is the molecular formula of 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The molecular formula of 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is C20H21FN2O3S.
What is the molecular weight of 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
The molecular weight of 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone is 388.13 g/mol.
Where can I buy 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
You can request a quote for 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)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 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethoxyphenyl)-1-(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.