1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone
TL;DR: 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone (CAS 384356-31-4) is a chemical compound with molecular formula C20H18ClF3N2O3 and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone
Also Known As: 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone, 1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone, 1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone
| Molecular Formula | C20H18ClF3N2O3 |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 4.22314 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.0958 |
| Heavy Atoms | 29 |
| Complexity | 960.434 |
Chemical Identifiers
| CAS Number | 384356-31-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)(C(F)(F)F)O)C |
Product Overview
1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone (CAS 384356-31-4), with molecular formula C20H18ClF3N2O3 and molecular weight 426.10 g/mol. IUPAC: 1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone.
Chemical Property Profile of 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone
Property Insights of 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone
The XLogP value of 4.22314 indicates that 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)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-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone. Following Lipinski's Rule of Five, 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)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-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
The CAS number of 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone is 384356-31-4.
What is the molecular formula of 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
The molecular formula of 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone is C20H18ClF3N2O3.
What is the molecular weight of 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
The molecular weight of 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone is 426.10 g/mol.
Where can I buy 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
You can request a quote for 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)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-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.