1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone
TL;DR: 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone (CAS 383894-48-2) is a chemical compound with molecular formula C20H27F3N2O3 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
Also Known As: 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone, 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethanone, 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
| Molecular Formula | C20H27F3N2O3 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 4.52662 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1974 |
| Heavy Atoms | 28 |
| Complexity | 746.7017 |
Chemical Identifiers
| CAS Number | 383894-48-2 |
|---|---|
| SMILES | CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=C(C=CC(=C2)C)C(C)C |
Product Overview
1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone (CAS 383894-48-2), with molecular formula C20H27F3N2O3 and molecular weight 400.20 g/mol. IUPAC: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone.
Chemical Property Profile of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone
Property Insights of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone
The XLogP value of 4.52662 indicates that 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone. Following Lipinski's Rule of Five, 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
The CAS number of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is 383894-48-2.
What is the molecular formula of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
The molecular formula of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is C20H27F3N2O3.
What is the molecular weight of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
The molecular weight of 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is 400.20 g/mol.
Where can I buy 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
You can request a quote for 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.