![4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile structure](/static/products/1020/1020252-72-5.webp)
4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile
TL;DR: 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile (CAS 1020252-72-5) is a chemical compound with molecular formula C18H23N3O and molecular weight 297.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile
Also Known As: 4,4-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile, (Z)-2-(2,2-dimethylpropanoyl)-3-(4-phenylpiperazino)-2-propenenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-(4-PHENYLPIPERAZINYL)PROP-2-ENENITRILE, (2Z)-4,4-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile
| Molecular Formula | C18H23N3O |
|---|---|
| Molecular Weight | 297.18 g/mol |
| LogP | 2.83128 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1841 |
| Heavy Atoms | 22 |
| Complexity | 584.99854 |
Chemical Identifiers
| CAS Number | 1020252-72-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CN1CCN(CC1)C2=CC=CC=C2)C#N |
Product Overview
4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile (CAS 1020252-72-5), with molecular formula C18H23N3O and molecular weight 297.18 g/mol. IUPAC: 4,4-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile.
Chemical Property Profile of 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile
Property Insights of 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile
The XLogP value of 2.83128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile 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-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile?
The CAS number of 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile is 1020252-72-5.
What is the molecular formula of 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile?
The molecular formula of 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile is C18H23N3O.
What is the molecular weight of 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile?
The molecular weight of 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile is 297.18 g/mol.
Where can I buy 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile?
You can request a quote for 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]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-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-oxo-2-[(4-phenylpiperazin-1-yl)methylidene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.