(Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide (CAS 892622-49-0) is a chemical compound with molecular formula C26H19N5O4 and molecular weight 465.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-oxo-2-(2-phenylethylamino)ethylidene]isoindol-1-yl]-3-nitrobenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide, N-[(3Z)-3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]-3-nitrobenzamide, N-[(1Z)-1-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethylidene}-1H-isoindol-3-yl]-3-nitrobenzamide
| Molecular Formula | C26H19N5O4 |
|---|---|
| Molecular Weight | 465.14 g/mol |
| LogP | 3.37858 |
| Topological Polar Surface Area | 137.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.1437 |
| Heavy Atoms | 35 |
| Complexity | 1420.9097 |
Chemical Identifiers
| CAS Number | 892622-49-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide (CAS 892622-49-0), with molecular formula C26H19N5O4 and molecular weight 465.14 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-oxo-2-(2-phenylethylamino)ethylidene]isoindol-1-yl]-3-nitrobenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide
The XLogP value of 3.37858 indicates that (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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 (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide is 892622-49-0.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide is C26H19N5O4.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide is 465.14 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.