(Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide (CAS 896825-77-7) is a chemical compound with molecular formula C26H19FN4O2 and molecular weight 438.15 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-(1-phenylethylamino)ethylidene]isoindol-1-yl]-2-fluorobenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide, N-[(1Z)-1-{1-cyano-2-oxo-2-[(1-phenylethyl)amino]ethylidene}-1H-isoindol-3-yl]-2-fluorobenzamide, N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-2-fluorobenzamide
| Molecular Formula | C26H19FN4O2 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 4.12798 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.1492 |
| Heavy Atoms | 33 |
| Complexity | 1339.6528 |
Chemical Identifiers
| CAS Number | 896825-77-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4F)/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide (CAS 896825-77-7), with molecular formula C26H19FN4O2 and molecular weight 438.15 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-2-fluorobenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide
The XLogP value of 4.12798 indicates that (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide has 2 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 (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide is 896825-77-7.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide is C26H19FN4O2.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide is 438.15 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide 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-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-oxo-2-((1-phenylethyl)amino)ethylidene)-1H-isoindol-3-yl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.