![2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile structure](/static/products/5405/540517-76-8.webp)
2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 540517-76-8) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(2,2-dimethylpropanoyl)-2-propenenitrile, 2-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 3-(4,5-DIMETHOXY-2-NITROPHENYL)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 3.13418 |
| Topological Polar Surface Area | 102.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 708.4064 |
Chemical Identifiers
| CAS Number | 540517-76-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)C#N |
Product Overview
2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 540517-76-8), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 3.13418 indicates that 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile. Following Lipinski's Rule of Five, 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile has 0 hydrogen bond donor(s) and 6 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-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 540517-76-8.
What is the molecular formula of 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is C16H18N2O5.
What is the molecular weight of 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 318.12 g/mol.
Where can I buy 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.