(E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide
TL;DR: (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide (CAS 796880-15-4) is a chemical compound with molecular formula C30H30N4O4 and molecular weight 510.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Also Known As: (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide, 4-tert-butyl-N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide, 4-tert-butyl-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
| Molecular Formula | C30H30N4O4 |
|---|---|
| Molecular Weight | 510.23 g/mol |
| LogP | 5.5034 |
| Topological Polar Surface Area | 117.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.2267 |
| Heavy Atoms | 38 |
| Complexity | 1511.3002 |
Chemical Identifiers
| CAS Number | 796880-15-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCCC3=CNC4=CC=CC=C43 |
Product Overview
(E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide (CAS 796880-15-4), with molecular formula C30H30N4O4 and molecular weight 510.23 g/mol. IUPAC: 4-tert-butyl-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide
Property Insights of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide
The XLogP value of 5.5034 indicates that (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide. Following Lipinski's Rule of Five, (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)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 (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
The CAS number of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is 796880-15-4.
What is the molecular formula of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
The molecular formula of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is C30H30N4O4.
What is the molecular weight of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
The molecular weight of (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide is 510.23 g/mol.
Where can I buy (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
You can request a quote for (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.