![2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile structure](/static/products/7760/77609-08-6.webp)
2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile
TL;DR: 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile (CAS 77609-08-6) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedinitrile
Also Known As: BAS 00758933, J1.183.487F, 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile, 2-(1-(4-Methoxyphenyl)-3-oxo-3-phenylpropyl)malononitrile, 2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedinitrile
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.71516 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 725.6793 |
Chemical Identifiers
| CAS Number | 77609-08-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C#N)C#N |
Product Overview
2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile (CAS 77609-08-6), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: 2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedinitrile.
Chemical Property Profile of 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile
Property Insights of 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile
The XLogP value of 3.71516 indicates that 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-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-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile. Following Lipinski's Rule of Five, 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-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-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile?
The CAS number of 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile is 77609-08-6.
What is the molecular formula of 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile?
The molecular formula of 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile is C19H16N2O2.
What is the molecular weight of 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile?
The molecular weight of 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile is 304.12 g/mol.
Where can I buy 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile?
You can request a quote for 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-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-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-Methoxy-phenyl)-3-oxo-3-phenyl-propyl]-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.