![[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone structure](/static/products/6424/642430-18-0.webp)
[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone
TL;DR: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone (CAS 642430-18-0) is a chemical compound with molecular formula C27H28N4O3 and molecular weight 456.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone
Also Known As: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone|(4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl)piperazin-1-yl)(p-tolyl)methanone|2-{5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline|[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-methylphenyl)methanone|{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-methylphenyl)methanone
| Molecular Formula | C27H28N4O3 |
|---|---|
| Molecular Weight | 456.22 g/mol |
| LogP | 4.42832 |
| Topological Polar Surface Area | 69.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.21616 |
| Heavy Atoms | 34 |
| Complexity | 1216.7998 |
Chemical Identifiers
| CAS Number | 642430-18-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4 |
Product Overview
[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone (CAS 642430-18-0), with molecular formula C27H28N4O3 and molecular weight 456.22 g/mol. IUPAC: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone
Property Insights of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone
The XLogP value of 4.42832 indicates that [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.93 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone. Following Lipinski's Rule of Five, [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone 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
Frequently Asked Questions
What is the CAS number of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The CAS number of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone is 642430-18-0.
What is the molecular formula of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The molecular formula of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone is C27H28N4O3.
What is the molecular weight of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The molecular weight of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone is 456.22 g/mol.
Where can I buy [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone?
You can request a quote for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.