![ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate structure](/static/products/3392/339277-97-3.webp)
ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate
TL;DR: ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate (CAS 339277-97-3) is a chemical compound with molecular formula C26H23FN2O2S and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenylimidazol-1-yl]acetate
Also Known As: 4K-631S, ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate, ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenylimidazol-1-yl]acetate, ethyl 2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-4,5-diphenyl-1H-imidazol-1-yl)acetate, Ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-imidazol-1-yl]acetate
| Molecular Formula | C26H23FN2O2S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 6.2116 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.14642 |
| Heavy Atoms | 32 |
| Complexity | 1193.1947 |
Chemical Identifiers
| CAS Number | 339277-97-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(N=C1SCC2=CC(=CC=C2)F)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate (CAS 339277-97-3), with molecular formula C26H23FN2O2S and molecular weight 446.15 g/mol. IUPAC: ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenylimidazol-1-yl]acetate.
Chemical Property Profile of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate
Property Insights of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate
The XLogP value of 6.2116 indicates that ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate?
The CAS number of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate is 339277-97-3.
What is the molecular formula of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate?
The molecular formula of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate is C26H23FN2O2S.
What is the molecular weight of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate?
The molecular weight of ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate is 446.15 g/mol.
Where can I buy ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate?
You can request a quote for ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[(3-fluorobenzyl)sulfanyl]-4,5-diphenyl-1H-imidazol-1-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.