![N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide structure](/static/products/827/827008-27-5.png)
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide
TL;DR: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide (CAS 827008-27-5) is a chemical compound with molecular formula C25H26N6O and molecular weight 426.22 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]-4-methylbenzamide
Also Known As: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide, (2E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[(2-indol-3-ylethyl)amino]-1-(4-m ethylphenyl)-2-azaprop-2-en-1-one, (E)-N-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-4-methylbenzamide, N-[(E)-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]({[2-(1H-INDOL-3-YL)ETHYL]AMINO})METHYLIDENE]-4-METHYLBENZAMIDE, N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methyl-benzamide
| Molecular Formula | C25H26N6O |
|---|---|
| Molecular Weight | 426.22 g/mol |
| LogP | 4.32376 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.2168 |
| Heavy Atoms | 32 |
| Complexity | 1253.0917 |
Chemical Identifiers
| CAS Number | 827008-27-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=NCCC2=CNC3=CC=CC=C32)NC4=NC(=CC(=N4)C)C |
Product Overview
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide (CAS 827008-27-5), with molecular formula C25H26N6O and molecular weight 426.22 g/mol. IUPAC: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methylbenzamide.
Chemical Property Profile of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide
Property Insights of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide
The XLogP value of 4.32376 indicates that N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 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]-4-methylbenzamide. Following Lipinski's Rule of Five, N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide has 3 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 N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide?
The CAS number of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide is 827008-27-5.
What is the molecular formula of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide?
The molecular formula of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide is C25H26N6O.
What is the molecular weight of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide?
The molecular weight of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide is 426.22 g/mol.
Where can I buy N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide?
You can request a quote for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide 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]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.