[4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
TL;DR: [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CAS 723253-85-8) is a chemical compound with molecular formula C21H21F3N2O4 and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, {4-[(4-ethoxyphenoxy)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone, 1-{4-[(4-ethoxyphenoxy)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C21H21F3N2O4 |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 4.137 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.14536 |
| Heavy Atoms | 30 |
| Complexity | 926.7628 |
Chemical Identifiers
| CAS Number | 723253-85-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3C(CC(=N3)C)(C(F)(F)F)O |
Product Overview
[4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CAS 723253-85-8), with molecular formula C21H21F3N2O4 and molecular weight 422.15 g/mol. IUPAC: [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Property Insights of [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
The XLogP value of 4.137 indicates that [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone. Following Lipinski's Rule of Five, [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has 1 hydrogen bond donor(s) and 5 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 [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The CAS number of [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is 723253-85-8.
What is the molecular formula of [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The molecular formula of [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is C21H21F3N2O4.
What is the molecular weight of [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The molecular weight of [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is 422.15 g/mol.
Where can I buy [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
You can request a quote for [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[(4-ethoxyphenoxy)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.