![2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile structure](/static/products/1024/1024869-99-5.webp)
2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 1024869-99-5) is a chemical compound with molecular formula C19H25N3O and molecular weight 311.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-[(4-benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (Z)-3-(4-benzylpiperazino)-2-(2,2-dimethylpropanoyl)-2-propenenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-(4-BENZYLPIPERAZINYL)PROP-2-ENENITRILE, 2-[(4-benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile, (2Z)-2-[(4-benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C19H25N3O |
|---|---|
| Molecular Weight | 311.20 g/mol |
| LogP | 2.82688 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.19977 |
| Heavy Atoms | 23 |
| Complexity | 599.7422 |
Chemical Identifiers
| CAS Number | 1024869-99-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CN1CCN(CC1)CC2=CC=CC=C2)C#N |
Product Overview
2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 1024869-99-5), with molecular formula C19H25N3O and molecular weight 311.20 g/mol. IUPAC: 2-[(4-benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 2.82688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-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 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 1024869-99-5.
What is the molecular formula of 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is C19H25N3O.
What is the molecular weight of 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 311.20 g/mol.
Where can I buy 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-[(4-Benzylpiperazin-1-yl)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-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.