(2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile
TL;DR: (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile (CAS 200071-78-9) is a chemical compound with molecular formula C16H16N4O and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(3-aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile
Also Known As: (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile, 2-(3-amino-1H-isoindol-1-ylidene)-3-oxo-3-(piperidin-1-yl)propanenitrile
| Molecular Formula | C16H16N4O |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 1.65268 |
| Topological Polar Surface Area | 82.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.13242 |
| Heavy Atoms | 21 |
| Complexity | 690.4737 |
Chemical Identifiers
| CAS Number | 200071-78-9 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)/C(=C/2\C3=CC=CC=C3C(=N2)N)/C#N |
Product Overview
(2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile (CAS 200071-78-9), with molecular formula C16H16N4O and molecular weight 280.13 g/mol. IUPAC: (2E)-2-(3-aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile.
Chemical Property Profile of (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile
Property Insights of (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile
The XLogP value of 1.65268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile. The TPSA of 82.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile. Following Lipinski's Rule of Five, (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile 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 (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile?
The CAS number of (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile is 200071-78-9.
What is the molecular formula of (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile?
The molecular formula of (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile is C16H16N4O.
What is the molecular weight of (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile?
The molecular weight of (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile is 280.13 g/mol.
Where can I buy (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile?
You can request a quote for (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(3-Aminoisoindol-1-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.