![2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate structure](/static/products/6298/6298-11-9.webp)
2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate
TL;DR: 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate (CAS 6298-11-9) is a chemical compound with molecular formula C25H17ClF2N2O2 and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
Also Known As: 4-Pyridineethanethiol Hydrochloride, BAS 00633515, BIM-0047800.P001, 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate, [(E)-2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
| Molecular Formula | C25H17ClF2N2O2 |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 6.2181 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.09467 |
| Heavy Atoms | 32 |
| Complexity | 1265.8638 |
Chemical Identifiers
| CAS Number | 6298-11-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=CN=C2/C=C(\C3=CC=C(C=C3)F)/OC(=O)C4=CC=C(C=C4)F)Cl |
Product Overview
2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate (CAS 6298-11-9), with molecular formula C25H17ClF2N2O2 and molecular weight 450.09 g/mol. IUPAC: [(E)-2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate.
Chemical Property Profile of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate
Property Insights of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate
The XLogP value of 6.2181 indicates that 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate?
The CAS number of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate is 6298-11-9.
What is the molecular formula of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate?
The molecular formula of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate is C25H17ClF2N2O2.
What is the molecular weight of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate?
The molecular weight of 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate is 450.09 g/mol.
Where can I buy 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate?
You can request a quote for 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(2-chlorobenzyl)-1H-imidazol-2-yl]-1-(4-fluorophenyl)vinyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.