![4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide structure](/static/products/7745/774560-22-4.webp)
4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide
TL;DR: 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide (CAS 774560-22-4) is a chemical compound with molecular formula C28H32N6O and molecular weight 468.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
Also Known As: 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide, 4-tert-butyl-N-{N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}benzamide, (2Z)-1-[4-(tert-butyl)phenyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[(2-indo l-3-ylethyl)amino]-2-azaprop-2-en-1-one, (E)-N-(N-(2-(1H-indol-3-yl)ethyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl)-4-(tert-butyl)benzamide, 4-tert-butyl-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
| Molecular Formula | C28H32N6O |
|---|---|
| Molecular Weight | 468.26 g/mol |
| LogP | 5.31284 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.26376 |
| Heavy Atoms | 35 |
| Complexity | 1342.229 |
Chemical Identifiers
| CAS Number | 774560-22-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide (CAS 774560-22-4), with molecular formula C28H32N6O and molecular weight 468.26 g/mol. IUPAC: 4-tert-butyl-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide
Property Insights of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide
The XLogP value of 5.31284 indicates that 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide 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 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide?
The CAS number of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide is 774560-22-4.
What is the molecular formula of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide?
The molecular formula of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide is C28H32N6O.
What is the molecular weight of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide?
The molecular weight of 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide is 468.26 g/mol.
Where can I buy 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide?
You can request a quote for 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.