(Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide
TL;DR: (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide (CAS 892615-59-7) 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-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide
Also Known As: (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide, N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide, N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3-nitrobenzamide
| Molecular Formula | C22H19N5O4 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.93598 |
| Topological Polar Surface Area | 137.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1437 |
| Heavy Atoms | 31 |
| Complexity | 1160.4863 |
Chemical Identifiers
| CAS Number | 892615-59-7 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
(Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide (CAS 892615-59-7), with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol. IUPAC: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide.
Chemical Property Profile of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide
Property Insights of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide
The XLogP value of 2.93598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide. The TPSA of 137.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-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-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
The CAS number of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide is 892615-59-7.
What is the molecular formula of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
The molecular formula of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide is C22H19N5O4.
What is the molecular weight of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
The molecular weight of (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide is 417.14 g/mol.
Where can I buy (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
You can request a quote for (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-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-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(2-(butylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.