![(E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one structure](/static/products/4777/477710-97-7.webp)
(E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one
TL;DR: (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one (CAS 477710-97-7) is a chemical compound with molecular formula C33H25Cl2FN2O3 and molecular weight 586.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]prop-2-en-1-one
Also Known As: (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one, 3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]prop-2-en-1-one, 3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-1-{3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]pyrazol-1-yl}prop-2-en-1-one
| Molecular Formula | C33H25Cl2FN2O3 |
|---|---|
| Molecular Weight | 586.12 g/mol |
| LogP | 9.0686 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 586.1226 |
| Heavy Atoms | 41 |
| Complexity | 1685.0667 |
Chemical Identifiers
| CAS Number | 477710-97-7 |
|---|---|
| SMILES | CC(C1=NN(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)OC4=CC(=C(C=C4)C5=CC=CC=C5)F |
Product Overview
(E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one (CAS 477710-97-7), with molecular formula C33H25Cl2FN2O3 and molecular weight 586.12 g/mol. IUPAC: 3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]prop-2-en-1-one.
Chemical Property Profile of (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one
Property Insights of (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one
The XLogP value of 9.0686 indicates that (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one 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 (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one?
The CAS number of (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one is 477710-97-7.
What is the molecular formula of (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one?
The molecular formula of (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one is C33H25Cl2FN2O3.
What is the molecular weight of (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one?
The molecular weight of (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one is 586.12 g/mol.
Where can I buy (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one?
You can request a quote for (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.