(2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
TL;DR: (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile (CAS 790272-14-9) is a chemical compound with molecular formula C17H19N5O and molecular weight 309.16 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-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
Also Known As: 2-(3-amino-1H-isoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile, (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile, 2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxo-propanenitrile
| Molecular Formula | C17H19N5O |
|---|---|
| Molecular Weight | 309.16 g/mol |
| LogP | 0.80428 |
| Topological Polar Surface Area | 85.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.15897 |
| Heavy Atoms | 23 |
| Complexity | 735.59576 |
Chemical Identifiers
| CAS Number | 790272-14-9 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)/C(=C/2\C3=CC=CC=C3C(=N2)N)/C#N |
Product Overview
(2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile (CAS 790272-14-9), with molecular formula C17H19N5O and molecular weight 309.16 g/mol. IUPAC: (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile.
Chemical Property Profile of (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
Property Insights of (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
The XLogP value of 0.80428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile. The TPSA of 85.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile has 1 hydrogen bond donor(s) and 5 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-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?
The CAS number of (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile is 790272-14-9.
What is the molecular formula of (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular formula of (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile is C17H19N5O.
What is the molecular weight of (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular weight of (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile is 309.16 g/mol.
Where can I buy (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?
You can request a quote for (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile 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-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.