![(2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone structure](/static/products/642/642430-20-4.png)
(2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone
TL;DR: (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone (CAS 642430-20-4) is a chemical compound with molecular formula C26H25ClN4O3 and molecular weight 476.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]methanone
Also Known As: (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone, (2-chlorophenyl)(4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl)piperazin-1-yl)methanone, (2-chlorophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone, (2-chlorophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]methanone
| Molecular Formula | C26H25ClN4O3 |
|---|---|
| Molecular Weight | 476.16 g/mol |
| LogP | 4.7733 |
| Topological Polar Surface Area | 69.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.16153 |
| Heavy Atoms | 34 |
| Complexity | 1240.2203 |
Chemical Identifiers
| CAS Number | 642430-20-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl)[N+](=O)[O-] |
Product Overview
(2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone (CAS 642430-20-4), with molecular formula C26H25ClN4O3 and molecular weight 476.16 g/mol. IUPAC: (2-chlorophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]methanone.
Chemical Property Profile of (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Property Insights of (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone
The XLogP value of 4.7733 indicates that (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}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 (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone. Following Lipinski's Rule of Five, (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}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 (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone?
The CAS number of (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone is 642430-20-4.
What is the molecular formula of (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone?
The molecular formula of (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone is C26H25ClN4O3.
What is the molecular weight of (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone?
The molecular weight of (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone is 476.16 g/mol.
Where can I buy (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone?
You can request a quote for (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-chlorophenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.