![4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile structure](/static/products/7232/723253-40-5.webp)
4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
TL;DR: 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile (CAS 723253-40-5) is a chemical compound with molecular formula C20H16F3N3O3 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile
Also Known As: 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile, 4-[[3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile
| Molecular Formula | C20H16F3N3O3 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.60998 |
| Topological Polar Surface Area | 85.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.11438 |
| Heavy Atoms | 29 |
| Complexity | 996.51154 |
Chemical Identifiers
| CAS Number | 723253-40-5 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC(=C2)COC3=CC=C(C=C3)C#N |
Product Overview
4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile (CAS 723253-40-5), with molecular formula C20H16F3N3O3 and molecular weight 403.11 g/mol. IUPAC: 4-[[3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile.
Chemical Property Profile of 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
Property Insights of 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
The XLogP value of 3.60998 indicates that 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile. Following Lipinski's Rule of Five, 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile 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-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
The CAS number of 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile is 723253-40-5.
What is the molecular formula of 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
The molecular formula of 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile is C20H16F3N3O3.
What is the molecular weight of 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
The molecular weight of 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile is 403.11 g/mol.
Where can I buy 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
You can request a quote for 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.