![1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea structure](/static/products/827/827009-66-5.png)
1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea
TL;DR: 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea (CAS 827009-66-5) is a chemical compound with molecular formula C25H27N7O and molecular weight 441.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(4-methylphenyl)urea
Also Known As: 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea, 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(4-methylphenyl)urea, (2E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[(2-indol-3-ylethyl)amino]-N-(4-m ethylphenyl)-2-azaprop-2-enamide, (E)-1-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-3-(p-tolyl)urea, N-((E)-1-[(4,6-DIMETHYL-2-PYRIMIDINYL)AMINO]-1-{[2-(1H-INDOL-3-YL)ETHYL]AMINO}METHYLIDENE)-N'-(4-METHYLPHENYL)UREA
| Molecular Formula | C25H27N7O |
|---|---|
| Molecular Weight | 441.23 g/mol |
| LogP | 4.71546 |
| Topological Polar Surface Area | 107.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.22772 |
| Heavy Atoms | 33 |
| Complexity | 1271.6168 |
Chemical Identifiers
| CAS Number | 827009-66-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC(=NCCC2=CNC3=CC=CC=C32)NC4=NC(=CC(=N4)C)C |
Product Overview
1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea (CAS 827009-66-5), with molecular formula C25H27N7O and molecular weight 441.23 g/mol. IUPAC: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(4-methylphenyl)urea.
Chemical Property Profile of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea
Property Insights of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea
The XLogP value of 4.71546 indicates that 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea. Following Lipinski's Rule of Five, 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea has 4 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 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea?
The CAS number of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea is 827009-66-5.
What is the molecular formula of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea?
The molecular formula of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea is C25H27N7O.
What is the molecular weight of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea?
The molecular weight of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea is 441.23 g/mol.
Where can I buy 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea?
You can request a quote for 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.