![4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile structure](/static/products/102/1025168-23-3.png)
4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile
TL;DR: 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile (CAS 1025168-23-3) is a chemical compound with molecular formula C15H18N2O and molecular weight 242.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-[(4-methylanilino)methylidene]-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((4-METHYLPHENYL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile, 4,4-dimethyl-2-[(4-methylanilino)methylidene]-3-oxopentanenitrile, 4,4-dimethyl-2-[[(4-methylphenyl)amino]methylidene]-3-oxo-pentanenitrile
| Molecular Formula | C15H18N2O |
|---|---|
| Molecular Weight | 242.14 g/mol |
| LogP | 3.4296 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.1419 |
| Heavy Atoms | 18 |
| Complexity | 498.78052 |
Chemical Identifiers
| CAS Number | 1025168-23-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC=C(C#N)C(=O)C(C)(C)C |
Product Overview
4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile (CAS 1025168-23-3), with molecular formula C15H18N2O and molecular weight 242.14 g/mol. IUPAC: 4,4-dimethyl-2-[(4-methylanilino)methylidene]-3-oxopentanenitrile.
Chemical Property Profile of 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile
Property Insights of 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile
The XLogP value of 3.4296 indicates that 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile has 1 hydrogen bond donor(s) and 3 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-[(4-methylanilino)methylene]-3-oxo-pentanenitrile?
The CAS number of 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile is 1025168-23-3.
What is the molecular formula of 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile?
The molecular formula of 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile is C15H18N2O.
What is the molecular weight of 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile?
The molecular weight of 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile is 242.14 g/mol.
Where can I buy 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile?
You can request a quote for 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile 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-[(4-methylanilino)methylene]-3-oxo-pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-[(4-methylanilino)methylene]-3-oxo-pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.