![N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide structure](/static/products/827/827009-58-5.png)
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
TL;DR: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide (CAS 827009-58-5) is a chemical compound with molecular formula C27H25N7O3 and molecular weight 495.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
Also Known As: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide, (E)-N-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-2-(1,3-dioxoisoindolin-2-yl)acetamide, 2-{(3E)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-4-[(2-indol-3-ylethyl)amino]-2-o xo-3-azabut-3-enyl}benzo[c]azoline-1,3-dione, N-((1Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylene)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide, N-[(E)-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]({[2-(1H-INDOL-3-YL)ETHYL]AMINO})METHYLIDENE]-2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)ACETAMIDE
| Molecular Formula | C27H25N7O3 |
|---|---|
| Molecular Weight | 495.20 g/mol |
| LogP | 2.99774 |
| Topological Polar Surface Area | 132.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.20187 |
| Heavy Atoms | 37 |
| Complexity | 1501.4033 |
Chemical Identifiers
| CAS Number | 827009-58-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C |
Product Overview
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide (CAS 827009-58-5), with molecular formula C27H25N7O3 and molecular weight 495.20 g/mol. IUPAC: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
Chemical Property Profile of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Property Insights of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
The XLogP value of 2.99774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide. The TPSA of 132.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide. Following Lipinski's Rule of Five, N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide has 3 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 N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide?
The CAS number of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide is 827009-58-5.
What is the molecular formula of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide?
The molecular formula of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide is C27H25N7O3.
What is the molecular weight of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide?
The molecular weight of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide is 495.20 g/mol.
Where can I buy N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide?
You can request a quote for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.