3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
TL;DR: 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile (CAS 208348-00-9) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethoxyanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-{[(2,5-dimethoxyphenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile, 3-((2,5-DIMETHOXYPHENYL)AMINO)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE, 2-[(2,5-dimethoxyanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (Z)-3-(2,5-dimethoxyanilino)-2-(2,2-dimethylpropanoyl)-2-propenenitrile, 2-[(2,5-dimethoxyanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 3.13838 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 592.52014 |
Chemical Identifiers
| CAS Number | 208348-00-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CNC1=C(C=CC(=C1)OC)OC)C#N |
Product Overview
3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile (CAS 208348-00-9), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: 2-[(2,5-dimethoxyanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
Property Insights of 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
The XLogP value of 3.13838 indicates that 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 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-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The CAS number of 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is 208348-00-9.
What is the molecular formula of 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The molecular formula of 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is C16H20N2O3.
What is the molecular weight of 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The molecular weight of 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is 288.15 g/mol.
Where can I buy 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
You can request a quote for 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,5-Dimethoxyphenyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.