![(2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one structure](/static/products/593/593238-04-1.webp)
(2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
TL;DR: (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one (CAS 593238-04-1) is a chemical compound with molecular formula C28H28N4O3 and molecular weight 468.21616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
Also Known As: (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one, (E)-1-(4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl)piperazin-1-yl)-3-phenylprop-2-en-1-one, (E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one, 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one
Technical Specifications
| Molecular Formula | C28H28N4O3 |
| Molecular Weight | 468.21616 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.21616 Da |
| Heavy Atoms | 35 |
| Complexity | 754.0 |
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5)[N+](=O)[O-] |
| InChIKey | AIQOLHXZFQDCTK-JLHYYAGUSA-N |
Chemical Property Profile of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
Property Insights of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
The XLogP value of 4.9 indicates that (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one?
The CAS number of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one is 593238-04-1.
What is the molecular formula of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one?
The molecular formula of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one is C28H28N4O3.
What is the molecular weight of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one?
The molecular weight of (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one is 468.21616 g/mol.
Where can I buy (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one?
You can request a quote for (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.