![[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone structure](/static/products/5932/593238-06-3.webp)
[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
TL;DR: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CAS 593238-06-3) is a chemical compound with molecular formula C29H32N4O3 and molecular weight 484.25 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-propan-2-ylphenyl)methanone
Also Known As: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone|(4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl)piperazin-1-yl)(4-isopropylphenyl)methanone|{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}[4-(propan-2-yl)phenyl]methanone
| Molecular Formula | C29H32N4O3 |
|---|---|
| Molecular Weight | 484.25 g/mol |
| LogP | 5.2433 |
| Topological Polar Surface Area | 69.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.24744 |
| Heavy Atoms | 36 |
| Complexity | 1263.7659 |
Chemical Identifiers
| CAS Number | 593238-06-3 |
|---|---|
| SMILES | CC(C)C1=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-propan-2-ylphenyl)methanone (CAS 593238-06-3), with molecular formula C29H32N4O3 and molecular weight 484.25 g/mol. IUPAC: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
Chemical Property Profile of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
Property Insights of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
The XLogP value of 5.2433 indicates that [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)methanone. Following Lipinski's Rule of Five, [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-propan-2-ylphenyl)methanone?
The CAS number of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is 593238-06-3.
What is the molecular formula of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The molecular formula of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is C29H32N4O3.
What is the molecular weight of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The molecular weight of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is 484.25 g/mol.
Where can I buy [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
You can request a quote for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.