4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile
TL;DR: 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile (CAS 1004402-98-5) is a chemical compound with molecular formula C23H17N5O2 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(4-acetyl-5-methylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]oxybenzonitrile
Also Known As: 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile, 4-[6-(4-acetyl-5-methylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]oxybenzonitrile, 4-{[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl]oxy}benzonitrile
| Molecular Formula | C23H17N5O2 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 4.5043 |
| Topological Polar Surface Area | 93.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.1382 |
| Heavy Atoms | 30 |
| Complexity | 1255.2506 |
Chemical Identifiers
| CAS Number | 1004402-98-5 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C#N)C(=O)C |
Product Overview
4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile (CAS 1004402-98-5), with molecular formula C23H17N5O2 and molecular weight 395.14 g/mol. IUPAC: 4-[6-(4-acetyl-5-methylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]oxybenzonitrile.
Chemical Property Profile of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile
Property Insights of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile
The XLogP value of 4.5043 indicates that 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile. Following Lipinski's Rule of Five, 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile has 0 hydrogen bond donor(s) and 6 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-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile?
The CAS number of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile is 1004402-98-5.
What is the molecular formula of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile?
The molecular formula of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile is C23H17N5O2.
What is the molecular weight of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile?
The molecular weight of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile is 395.14 g/mol.
Where can I buy 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile?
You can request a quote for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)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-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.