((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile
TL;DR: ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile (CAS 89607-48-7) is a chemical compound with molecular formula C14H12N4O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-phenylmethyl]propanedinitrile
Also Known As: ((3-METHYL-5-OXO(2-PYRAZOLIN-4-YL))PHENYLMETHYL)METHANE-1,1-DICARBONITRILE, 2-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile, [(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]malononitrile, 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-phenylmethyl]propanedinitrile, [(3-methyl-5-oxo(2-pyrazolin-4-yl))phenylmethyl]methane-1,1-dicarbonitrile
| Molecular Formula | C14H12N4O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.55546 |
| Topological Polar Surface Area | 89.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.1011 |
| Heavy Atoms | 19 |
| Complexity | 580.11224 |
Chemical Identifiers
| CAS Number | 89607-48-7 |
|---|---|
| SMILES | CC1=NNC(=O)C1C(C2=CC=CC=C2)C(C#N)C#N |
Product Overview
((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile (CAS 89607-48-7), with molecular formula C14H12N4O and molecular weight 252.10 g/mol. IUPAC: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-phenylmethyl]propanedinitrile.
Chemical Property Profile of ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile
Property Insights of ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile
The XLogP value of 1.55546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile. The TPSA of 89.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile has 1 hydrogen bond donor(s) and 4 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 ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile?
The CAS number of ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile is 89607-48-7.
What is the molecular formula of ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile?
The molecular formula of ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile is C14H12N4O.
What is the molecular weight of ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile?
The molecular weight of ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile is 252.10 g/mol.
Where can I buy ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile?
You can request a quote for ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for ((3-Methyl-5-oxo(2-pyrazolin-4-YL))phenylmethyl)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.