![2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile structure](/static/products/3916/391649-99-3.webp)
2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
TL;DR: 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile (CAS 391649-99-3) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(4-ETHOXYPHENYL)PROP-2-ENENITRILE, 2-[(4-ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(4-ethoxyphenyl)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(4-ethoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 3.60748 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 513.1653 |
Chemical Identifiers
| CAS Number | 391649-99-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C=C(C#N)C(=O)C(C)(C)C |
Product Overview
2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile (CAS 391649-99-3), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: 2-[(4-ethoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
Property Insights of 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
The XLogP value of 3.60748 indicates that 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile 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-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
The CAS number of 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is 391649-99-3.
What is the molecular formula of 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
The molecular formula of 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is C16H19NO2.
What is the molecular weight of 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
The molecular weight of 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is 257.14 g/mol.
Where can I buy 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
You can request a quote for 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Ethoxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.