![4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile structure](/static/products/3916/391649-88-0.webp)
4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile
TL;DR: 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile (CAS 391649-88-0) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile
Also Known As: 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-(2-NITROPHENYL)PROP-2-ENENITRILE, (E)-2-(2,2-dimethylpropanoyl)-3-(2-nitrophenyl)-2-propenenitrile, 4,4-dimethyl-2-[(2-nitrophenyl)methylene]-3-oxo-pentanenitrile
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 3.11698 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 589.44403 |
Chemical Identifiers
| CAS Number | 391649-88-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C#N |
Product Overview
4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile (CAS 391649-88-0), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile.
Chemical Property Profile of 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile
Property Insights of 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile
The XLogP value of 3.11698 indicates that 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile 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 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile?
The CAS number of 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile is 391649-88-0.
What is the molecular formula of 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile?
The molecular formula of 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile is C14H14N2O3.
What is the molecular weight of 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile?
The molecular weight of 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile is 258.10 g/mol.
Where can I buy 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile?
You can request a quote for 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-[(2-nitrophenyl)methylidene]-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.