2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile
TL;DR: 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile (CAS 77609-10-0) is a chemical compound with molecular formula C19H16N2O and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)-3-oxo-1-phenylpropyl]propanedinitrile
Also Known As: TimTec1_004240, 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile, 2-(3-Oxo-1-phenyl-3-(p-tolyl)propyl)malononitrile, BAS 00801646, 2-[3-(4-methylphenyl)-3-oxo-1-phenylpropyl]propanedinitrile
| Molecular Formula | C19H16N2O |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 4.01498 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.12625 |
| Heavy Atoms | 22 |
| Complexity | 706.77075 |
Chemical Identifiers
| CAS Number | 77609-10-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)C(C#N)C#N |
Product Overview
2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile (CAS 77609-10-0), with molecular formula C19H16N2O and molecular weight 288.13 g/mol. IUPAC: 2-[3-(4-methylphenyl)-3-oxo-1-phenylpropyl]propanedinitrile.
Chemical Property Profile of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile
Property Insights of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile
The XLogP value of 4.01498 indicates that 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile. Following Lipinski's Rule of Five, 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile has 0 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-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile?
The CAS number of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile is 77609-10-0.
What is the molecular formula of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile?
The molecular formula of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile is C19H16N2O.
What is the molecular weight of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile?
The molecular weight of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile is 288.13 g/mol.
Where can I buy 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile?
You can request a quote for 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.