2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile
TL;DR: 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile (CAS 337498-11-0) is a chemical compound with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropyl]propanedinitrile
Also Known As: 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile, BAS 01337617, 2-[1-(2-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropyl]propanedinitrile, 2-[1-(2-Methoxy-phenyl)-3-oxo-3-p-tolyl-propyl]-malononitrile, 2-[1-(2-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropyl]malononitrile
| Molecular Formula | C20H18N2O2 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 4.02358 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.13684 |
| Heavy Atoms | 24 |
| Complexity | 783.62396 |
Chemical Identifiers
| CAS Number | 337498-11-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2OC)C(C#N)C#N |
Product Overview
2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile (CAS 337498-11-0), with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol. IUPAC: 2-[1-(2-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropyl]propanedinitrile.
Chemical Property Profile of 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile
Property Insights of 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile
The XLogP value of 4.02358 indicates that 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile. Following Lipinski's Rule of Five, 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile has 0 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 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile?
The CAS number of 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile is 337498-11-0.
What is the molecular formula of 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile?
The molecular formula of 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile is C20H18N2O2.
What is the molecular weight of 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile?
The molecular weight of 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile is 318.14 g/mol.
Where can I buy 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile?
You can request a quote for 2-(1-(2-Methoxyphenyl)-3-oxo-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-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(2-Methoxyphenyl)-3-oxo-3-(p-tolyl)propyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.