(Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide
TL;DR: (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide (CAS 885186-70-9) is a chemical compound with molecular formula C26H28N4O2 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]benzamide
Also Known As: (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide, N-[3-[cyano-(2-methylpropylcarbamoyl)methylidene]isoindol-1-yl]-4-tert-butyl-benzamide, 4-tert-butyl-N-[(1Z)-1-{1-cyano-2-[(2-methylpropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide, 4-tert-butyl-N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]benzamide
| Molecular Formula | C26H28N4O2 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 4.18118 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.22122 |
| Heavy Atoms | 32 |
| Complexity | 1143.5847 |
Chemical Identifiers
| CAS Number | 885186-70-9 |
|---|---|
| SMILES | CC(C)CNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)C(C)(C)C)/C#N |
Product Overview
(Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide (CAS 885186-70-9), with molecular formula C26H28N4O2 and molecular weight 428.22 g/mol. IUPAC: 4-tert-butyl-N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]benzamide.
Chemical Property Profile of (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide
Property Insights of (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide
The XLogP value of 4.18118 indicates that (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide 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)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide. Following Lipinski's Rule of Five, (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide 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)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
The CAS number of (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide is 885186-70-9.
What is the molecular formula of (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
The molecular formula of (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide is C26H28N4O2.
What is the molecular weight of (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
The molecular weight of (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide is 428.22 g/mol.
Where can I buy (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
You can request a quote for (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(tert-butyl)-N-(1-(1-cyano-2-(isobutylamino)-2-oxoethylidene)-1H-isoindol-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.