![1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea structure](/static/products/827/827003-06-5.png)
1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea
TL;DR: 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea (CAS 827003-06-5) is a chemical compound with molecular formula C24H24FN7S and molecular weight 461.18 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-fluorophenyl)thiourea
Also Known As: 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea, (2E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[(4-fluorophenyl)amino]-3-[(2-ind ol-3-ylethyl)amino]-2-azaprop-2-ene-1-thione, (E)-1-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-3-(4-fluorophenyl)thiourea, 1-[(E)-{[(2Z)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea, 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(4-fluorophenyl)thiourea
| Molecular Formula | C24H24FN7S |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 4.71104 |
| Topological Polar Surface Area | 90.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.17978 |
| Heavy Atoms | 33 |
| Complexity | 1277.6741 |
Chemical Identifiers
| CAS Number | 827003-06-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=S)NC4=CC=C(C=C4)F)C |
Product Overview
1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea (CAS 827003-06-5), with molecular formula C24H24FN7S and molecular weight 461.18 g/mol. IUPAC: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea
Property Insights of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea
The XLogP value of 4.71104 indicates that 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.02 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-fluorophenyl)thiourea. Following Lipinski's Rule of Five, 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea 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-fluorophenyl)thiourea?
The CAS number of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea is 827003-06-5.
What is the molecular formula of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea?
The molecular formula of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea is C24H24FN7S.
What is the molecular weight of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea?
The molecular weight of 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea is 461.18 g/mol.
Where can I buy 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea?
You can request a quote for 1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea 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-fluorophenyl)thiourea?
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-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.