![[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone structure](/static/products/4333/433329-58-9.webp)
[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
TL;DR: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CAS 433329-58-9) is a chemical compound with molecular formula C27H28N4O4 and molecular weight 472.21 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-methoxyphenyl)methanone
Also Known As: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone, [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone, {4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-methoxyphenyl)methanone, 2-{5-[4-(4-METHOXYBENZOYL)PIPERAZIN-1-YL]-2-NITROPHENYL}-1,2,3,4-TETRAHYDROISOQUINOLINE, Cambridge id 6943305
| Molecular Formula | C27H28N4O4 |
|---|---|
| Molecular Weight | 472.21 g/mol |
| LogP | 4.1285 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.21106 |
| Heavy Atoms | 35 |
| Complexity | 1236.1836 |
Chemical Identifiers
| CAS Number | 433329-58-9 |
|---|---|
| SMILES | COC1=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-methoxyphenyl)methanone (CAS 433329-58-9), with molecular formula C27H28N4O4 and molecular weight 472.21 g/mol. IUPAC: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
Property Insights of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
The XLogP value of 4.1285 indicates that [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.16 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-methoxyphenyl)methanone. Following Lipinski's Rule of Five, [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has 0 hydrogen bond donor(s) and 6 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-methoxyphenyl)methanone?
The CAS number of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is 433329-58-9.
What is the molecular formula of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The molecular formula of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is C27H28N4O4.
What is the molecular weight of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The molecular weight of [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is 472.21 g/mol.
Where can I buy [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
You can request a quote for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)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-methoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.