5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol
TL;DR: 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol (CAS 476412-26-7) is a chemical compound with molecular formula C21H21F3N2O3 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butoxy-2-[1-methyl-4-phenoxy-5-(trifluoromethyl)pyrazol-3-yl]phenol
Also Known As: 5-butoxy-2-[1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol, 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol, (6E)-3-butoxy-6-[2-methyl-4-phenoxy-3-(trifluoromethyl)-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one, (6Z)-3-butoxy-6-[2-methyl-4-phenoxy-3-(trifluoromethyl)-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one, 3-butoxy-6-[1-methyl-4-phenoxy-5-(trifluoromethyl)-2H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H21F3N2O3 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 5.7827 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.15042 |
| Heavy Atoms | 29 |
| Complexity | 969.2929 |
Chemical Identifiers
| CAS Number | 476412-26-7 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)C2=NN(C(=C2OC3=CC=CC=C3)C(F)(F)F)C)O |
Product Overview
5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol (CAS 476412-26-7), with molecular formula C21H21F3N2O3 and molecular weight 406.15 g/mol. IUPAC: 5-butoxy-2-[1-methyl-4-phenoxy-5-(trifluoromethyl)pyrazol-3-yl]phenol.
Chemical Property Profile of 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol
Property Insights of 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol
The XLogP value of 5.7827 indicates that 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol has 1 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 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol?
The CAS number of 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol is 476412-26-7.
What is the molecular formula of 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol?
The molecular formula of 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol is C21H21F3N2O3.
What is the molecular weight of 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol?
The molecular weight of 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol is 406.15 g/mol.
Where can I buy 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol?
You can request a quote for 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol?
Yes, KEHONG BIO provides custom synthesis services for 5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.