(Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
TL;DR: (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide (CAS 896854-17-4) is a chemical compound with molecular formula C25H24N4O3 and molecular weight 428.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide
Also Known As: (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide, N-[(3Z)-3-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide, N-[3-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethylidene]isoindol-1-yl]-4-methyl-benzamide, N-{(1Z)-1-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}-4-methylbenzamide
| Molecular Formula | C25H24N4O3 |
|---|---|
| Molecular Weight | 428.18 g/mol |
| LogP | 3.0557 |
| Topological Polar Surface Area | 94.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.18484 |
| Heavy Atoms | 32 |
| Complexity | 1164.4183 |
Chemical Identifiers
| CAS Number | 896854-17-4 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)C)/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide (CAS 896854-17-4), with molecular formula C25H24N4O3 and molecular weight 428.18 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(2,6-dimethylmorpholin-4-yl)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
Property Insights of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide
The XLogP value of 3.0557 indicates that (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide has 1 hydrogen bond donor(s) and 5 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-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The CAS number of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is 896854-17-4.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is C25H24N4O3.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide is 428.18 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide 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-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-(2,6-dimethylmorpholino)-2-oxoethylidene)-1H-isoindol-3-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.