![4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile structure](/static/products/357/357623-46-2.png)
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
TL;DR: 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile (CAS 357623-46-2) is a chemical compound with molecular formula C28H23N5O2 and molecular weight 461.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
Also Known As: ChemDiv1_021868, BAS 02002721, J2.821.475H, 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile, AJ-145/11825003
| Molecular Formula | C28H23N5O2 |
|---|---|
| Molecular Weight | 461.19 g/mol |
| LogP | 4.31332 |
| Topological Polar Surface Area | 99.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.18518 |
| Heavy Atoms | 35 |
| Complexity | 1549.5812 |
Chemical Identifiers
| CAS Number | 357623-46-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C#N)C4=C(NN(C4=O)C5=CC=CC=C5)C |
Product Overview
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile (CAS 357623-46-2), with molecular formula C28H23N5O2 and molecular weight 461.19 g/mol. IUPAC: 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile.
Chemical Property Profile of 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
Property Insights of 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
The XLogP value of 4.31332 indicates that 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile has 2 hydrogen bond donor(s) and 3 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-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile?
The CAS number of 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile is 357623-46-2.
What is the molecular formula of 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile?
The molecular formula of 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile is C28H23N5O2.
What is the molecular weight of 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile?
The molecular weight of 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile is 461.19 g/mol.
Where can I buy 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile?
You can request a quote for 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.