![(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide structure](/static/products/827/827009-39-2.png)
(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
TL;DR: (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CAS 827009-39-2) is a chemical compound with molecular formula C29H32N6O4 and molecular weight 528.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Also Known As: (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, (1E,4E)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[(2-indol-3-ylethyl)amino]-5-( 3,4,5-trimethoxyphenyl)-2-azapenta-1,4-dien-3-one, (2E)-N-((1E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylene)-3-(3,4,5-trimethoxyphenyl)acrylamide, (2E,NE)-N-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-3-(3,4,5-trimethoxyphenyl)acrylamide, (E)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
| Molecular Formula | C29H32N6O4 |
|---|---|
| Molecular Weight | 528.25 g/mol |
| LogP | 4.44074 |
| Topological Polar Surface Area | 122.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.2485 |
| Heavy Atoms | 39 |
| Complexity | 1480.2438 |
Chemical Identifiers
| CAS Number | 827009-39-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)C |
Product Overview
(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CAS 827009-39-2), with molecular formula C29H32N6O4 and molecular weight 528.25 g/mol. IUPAC: (E)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Property Insights of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
The XLogP value of 4.44074 indicates that (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has 3 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 (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The CAS number of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is 827009-39-2.
What is the molecular formula of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The molecular formula of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is C29H32N6O4.
What is the molecular weight of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The molecular weight of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is 528.25 g/mol.
Where can I buy (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
You can request a quote for (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.