2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile (CAS 1024796-70-0) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(4-HYDROXY-3-NITROPHENYL)PROP-2-ENENITRILE, 2-[(4-hydroxy-3-nitro-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(4-hydroxy-3-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-[(4-hydroxy-3-nitro-phenyl)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.82258 |
| Topological Polar Surface Area | 104.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 633.5545 |
Chemical Identifiers
| CAS Number | 1024796-70-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)O)[N+](=O)[O-])C#N |
Product Overview
2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile (CAS 1024796-70-0), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: 2-[(4-hydroxy-3-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile
The XLogP value of 2.82258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile. The TPSA of 104.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)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 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile is 1024796-70-0.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile is C14H14N2O4.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile is 274.10 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)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 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.