(Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide (CAS 892624-95-2) is a chemical compound with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide, N-[(1Z)-1-{1-cyano-2-[(2-methylpropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-nitrobenzamide, N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
| Molecular Formula | C22H19N5O4 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.79188 |
| Topological Polar Surface Area | 137.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1437 |
| Heavy Atoms | 31 |
| Complexity | 1157.169 |
Chemical Identifiers
| CAS Number | 892624-95-2 |
|---|---|
| SMILES | CC(C)CNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide (CAS 892624-95-2), with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide
The XLogP value of 2.79188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide. The TPSA of 137.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-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-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide is 892624-95-2.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide is C22H19N5O4.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide is 417.14 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-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-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.