![1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea structure](/static/products/827/827009-50-7.png)
1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea
TL;DR: 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea (CAS 827009-50-7) is a chemical compound with molecular formula C27H31N7O4 and molecular weight 517.24 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-(3,4,5-trimethoxyphenyl)urea
Also Known As: 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea, (Z)-1-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-3-(3,4,5-trimethoxyphenyl)urea, (2Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[(2-indol-3-ylethyl)amino]-N-(3,4 ,5-trimethoxyphenyl)-2-azaprop-2-enamide, 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(3,4,5-trimethoxyphenyl)urea, N-((1E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylene)-N'-(3,4,5-trimethoxyphenyl)urea
| Molecular Formula | C27H31N7O4 |
|---|---|
| Molecular Weight | 517.24 g/mol |
| LogP | 4.43284 |
| Topological Polar Surface Area | 134.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.2438 |
| Heavy Atoms | 38 |
| Complexity | 1419.841 |
Chemical Identifiers
| CAS Number | 827009-50-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)NC4=CC(=C(C(=C4)OC)OC)OC)C |
Product Overview
1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea (CAS 827009-50-7), with molecular formula C27H31N7O4 and molecular weight 517.24 g/mol. IUPAC: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(3,4,5-trimethoxyphenyl)urea.
Chemical Property Profile of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea
Property Insights of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea
The XLogP value of 4.43284 indicates that 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea. Following Lipinski's Rule of Five, 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea?
The CAS number of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea is 827009-50-7.
What is the molecular formula of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea?
The molecular formula of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea is C27H31N7O4.
What is the molecular weight of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea?
The molecular weight of 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea is 517.24 g/mol.
Where can I buy 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea?
You can request a quote for 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.