![2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile structure](/static/products/1025/1025529-30-9.webp)
2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 1025529-30-9) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 3-((4-ACETYLPHENYL)AMINO)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE, 2-[(4-acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (E)-3-(4-acetylanilino)-2-(2,2-dimethylpropanoyl)-2-propenenitrile, 2-[[(4-acetylphenyl)amino]methylidene]-4,4-dimethyl-3-oxo-pentanenitrile, (2E)-2-{[(4-acetylphenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 3.32378 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 584.38824 |
Chemical Identifiers
| CAS Number | 1025529-30-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC=C(C#N)C(=O)C(C)(C)C |
Product Overview
2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 1025529-30-9), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: 2-[(4-acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 3.32378 indicates that 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile. Following Lipinski's Rule of Five, 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile has 1 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 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 1025529-30-9.
What is the molecular formula of 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile is C16H18N2O2.
What is the molecular weight of 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 270.14 g/mol.
Where can I buy 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-[(4-Acetylanilino)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-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Acetylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.