![2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol structure](/static/products/879/879459-50-4.png)
2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
TL;DR: 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol (CAS 879459-50-4) is a chemical compound with molecular formula C23H15ClF3N3O4 and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol
Also Known As: 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol, 2-(4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol, 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1~{H}-pyrazol-3-yl]-5-(4-nitrobenzyl)oxyphenol, 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-5-[(4-nitrophenyl)metho xy]phenol, (6Z)-6-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one
| Molecular Formula | C23H15ClF3N3O4 |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 6.6087 |
| Topological Polar Surface Area | 101.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.0703 |
| Heavy Atoms | 34 |
| Complexity | 1337.3252 |
Chemical Identifiers
| CAS Number | 879459-50-4 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=CC(=C(C=C2)C3=NNC(=C3C4=CC=C(C=C4)Cl)C(F)(F)F)O)[N+](=O)[O-] |
Product Overview
2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol (CAS 879459-50-4), with molecular formula C23H15ClF3N3O4 and molecular weight 489.07 g/mol. IUPAC: 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol.
Chemical Property Profile of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Property Insights of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
The XLogP value of 6.6087 indicates that 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol. Following Lipinski's Rule of Five, 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol?
The CAS number of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol is 879459-50-4.
What is the molecular formula of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol?
The molecular formula of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol is C23H15ClF3N3O4.
What is the molecular weight of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol?
The molecular weight of 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol is 489.07 g/mol.
Where can I buy 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol?
You can request a quote for 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.