2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol
TL;DR: 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol (CAS 1187358-12-8) is a chemical compound with molecular formula C21H19F3N2O3 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
Also Known As: 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol, 2-[4-(2-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-(2-methylallyloxy)phenol, 2-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1~{H}-pyrazol-3-yl]-5-(2-methylallyloxy)phenol, 2-[4-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-5-(2-methylprop-2-enyl oxy)phenol, (6Z)-6-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H19F3N2O3 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 5.4316 |
| Topological Polar Surface Area | 67.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.13477 |
| Heavy Atoms | 29 |
| Complexity | 1041.8909 |
Chemical Identifiers
| CAS Number | 1187358-12-8 |
|---|---|
| SMILES | CC(=C)COC1=CC(=C(C=C1)C2=NNC(=C2C3=CC=CC=C3OC)C(F)(F)F)O |
Product Overview
2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol (CAS 1187358-12-8), with molecular formula C21H19F3N2O3 and molecular weight 404.13 g/mol. IUPAC: 2-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol.
Chemical Property Profile of 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol
Property Insights of 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol
The XLogP value of 5.4316 indicates that 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol. Following Lipinski's Rule of Five, 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol has 2 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 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol?
The CAS number of 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol is 1187358-12-8.
What is the molecular formula of 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol?
The molecular formula of 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol is C21H19F3N2O3.
What is the molecular weight of 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol?
The molecular weight of 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol is 404.13 g/mol.
Where can I buy 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol?
You can request a quote for 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)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-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.