![(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)prop-2-enamide structure](/static/products/827/827009-31-4.png)
(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)prop-2-enamide
TL;DR: (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)prop-2-enamide (CAS 827009-31-4) is a chemical compound with molecular formula C27H28N6O2 and molecular weight 468.23 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-(4-methoxyphenyl)prop-2-enamide
Also Known As: (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)prop-2-enamide, (1E,4E)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[(2-indol-3-ylethyl)amino]-5-( 4-methoxyphenyl)-2-azapenta-1,4-dien-3-one, (2E)-N-[(E)-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]({[2-(1H-INDOL-3-YL)ETHYL]AMINO})METHYLIDENE]-3-(4-METHOXYPHENYL)PROP-2-ENAMIDE, (2E,NE)-N-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-3-(4-methoxyphenyl)acrylamide, (E)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
| Molecular Formula | C27H28N6O2 |
|---|---|
| Molecular Weight | 468.23 g/mol |
| LogP | 4.42354 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.2274 |
| Heavy Atoms | 35 |
| Complexity | 1351.9628 |
Chemical Identifiers
| CAS Number | 827009-31-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)/C=C/C4=CC=C(C=C4)OC)C |
Product Overview
(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)prop-2-enamide (CAS 827009-31-4), with molecular formula C27H28N6O2 and molecular weight 468.23 g/mol. IUPAC: (E)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(4-methoxyphenyl)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-(4-methoxyphenyl)prop-2-enamide
Property Insights of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)prop-2-enamide
The XLogP value of 4.42354 indicates that (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 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-(4-methoxyphenyl)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-(4-methoxyphenyl)prop-2-enamide has 3 hydrogen bond donor(s) and 5 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 (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)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-(4-methoxyphenyl)prop-2-enamide is 827009-31-4.
What is the molecular formula of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)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-(4-methoxyphenyl)prop-2-enamide is C27H28N6O2.
What is the molecular weight of (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)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-(4-methoxyphenyl)prop-2-enamide is 468.23 g/mol.
Where can I buy (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-methoxyphenyl)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-(4-methoxyphenyl)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-(4-methoxyphenyl)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-(4-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.