![2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile structure](/static/products/372/372086-25-4.png)
2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
TL;DR: 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile (CAS 372086-25-4) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
Also Known As: 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile, [(4-hydroxyphenyl)(3-methyl-5-oxo(2-pyrazolin-4-yl))methyl]methane-1,1-dicarbo nitrile, 2-((4-hydroxyphenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl)malononitrile
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.26106 |
| Topological Polar Surface Area | 109.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 622.6231 |
Chemical Identifiers
| CAS Number | 372086-25-4 |
|---|---|
| SMILES | CC1=NNC(=O)C1C(C2=CC=C(C=C2)O)C(C#N)C#N |
Product Overview
2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile (CAS 372086-25-4), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
Property Insights of 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
The XLogP value of 1.26106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile. The TPSA of 109.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile has 2 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 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
The CAS number of 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile is 372086-25-4.
What is the molecular formula of 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
The molecular formula of 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile is C14H12N4O2.
What is the molecular weight of 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
The molecular weight of 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile is 268.10 g/mol.
Where can I buy 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
You can request a quote for 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.