![4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile structure](/static/products/6789/678978-90-0.webp)
4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
TL;DR: 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile (CAS 678978-90-0) is a chemical compound with molecular formula C20H15F4N3O3 and molecular weight 421.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile
Also Known As: 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile, 4-[[3-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile
| Molecular Formula | C20H15F4N3O3 |
|---|---|
| Molecular Weight | 421.10 g/mol |
| LogP | 3.55798 |
| Topological Polar Surface Area | 85.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.10495 |
| Heavy Atoms | 30 |
| Complexity | 1005.10144 |
Chemical Identifiers
| CAS Number | 678978-90-0 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=CC(=C2)COC3=CC=C(C=C3)C#N)C(F)F |
Product Overview
4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile (CAS 678978-90-0), with molecular formula C20H15F4N3O3 and molecular weight 421.10 g/mol. IUPAC: 4-[[3-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile.
Chemical Property Profile of 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
Property Insights of 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
The XLogP value of 3.55798 indicates that 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-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-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile. Following Lipinski's Rule of Five, 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-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-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
The CAS number of 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile is 678978-90-0.
What is the molecular formula of 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
The molecular formula of 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile is C20H15F4N3O3.
What is the molecular weight of 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
The molecular weight of 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile is 421.10 g/mol.
Where can I buy 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
You can request a quote for 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-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-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-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.