2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile
TL;DR: 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile (CAS 371227-89-3) is a chemical compound with molecular formula C22H22N4O and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile
Also Known As: 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile, [2-(3-hydroxy-5-phenyl-1H-pyrazol-4-yl)tricyclo[3.3.1.1~3,7~]dec-2-yl]propanedinitrile, 2-[2-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile
| Molecular Formula | C22H22N4O |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 3.72726 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.17935 |
| Heavy Atoms | 27 |
| Complexity | 961.41425 |
Chemical Identifiers
| CAS Number | 371227-89-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3(C4=C(NNC4=O)C5=CC=CC=C5)C(C#N)C#N |
Product Overview
2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile (CAS 371227-89-3), with molecular formula C22H22N4O and molecular weight 358.18 g/mol. IUPAC: 2-[2-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile.
Chemical Property Profile of 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile
Property Insights of 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile
The XLogP value of 3.72726 indicates that 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile. Following Lipinski's Rule of Five, 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile 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 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile?
The CAS number of 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile is 371227-89-3.
What is the molecular formula of 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile?
The molecular formula of 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile is C22H22N4O.
What is the molecular weight of 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile?
The molecular weight of 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile is 358.18 g/mol.
Where can I buy 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile?
You can request a quote for 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)adamantan-2-yl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.