![N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide structure](/static/products/827/827008-96-8.png)
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide
TL;DR: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide (CAS 827008-96-8) is a chemical compound with molecular formula C22H22N6OS and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]thiophene-2-carboxamide
Also Known As: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide, (2E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[(2-indol-3-ylethyl)amino]-1-(2-t hienyl)-2-azaprop-2-en-1-one, (E)-N-(((2-(1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)thiophene-2-carboxamide, N-((1E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylene)-3,5-dimethoxybenzamide, N-[(E)-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]({[2-(1H-INDOL-3-YL)ETHYL]AMINO})METHYLIDENE]THIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C22H22N6OS |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 4.07684 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1576 |
| Heavy Atoms | 30 |
| Complexity | 1175.3021 |
Chemical Identifiers
| CAS Number | 827008-96-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)C |
Product Overview
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide (CAS 827008-96-8), with molecular formula C22H22N6OS and molecular weight 418.16 g/mol. IUPAC: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide
Property Insights of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide
The XLogP value of 4.07684 indicates that N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide 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 N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide?
The CAS number of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide is 827008-96-8.
What is the molecular formula of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide?
The molecular formula of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide is C22H22N6OS.
What is the molecular weight of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide?
The molecular weight of N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide is 418.16 g/mol.
Where can I buy N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide?
You can request a quote for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.