![2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline structure](/static/products/4399/439946-51-7.webp)
2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
TL;DR: 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline (CAS 439946-51-7) is a chemical compound with molecular formula C20H24N4O2 and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
Also Known As: 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline, 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline, 4-methyl-1-(4-nitro-3-(2-1,2,3,4-tetrahydroisoquinolyl)phenyl)piperazine, 2-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline
| Molecular Formula | C20H24N4O2 |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 2.9093 |
| Topological Polar Surface Area | 52.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1899 |
| Heavy Atoms | 26 |
| Complexity | 815.2085 |
Chemical Identifiers
| CAS Number | 439946-51-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3 |
Product Overview
2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline (CAS 439946-51-7), with molecular formula C20H24N4O2 and molecular weight 352.19 g/mol. IUPAC: 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
Property Insights of 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
The XLogP value of 2.9093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline. With a topological polar surface area (TPSA) of 52.86 Ų, 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline 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-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is 439946-51-7.
What is the molecular formula of 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is C20H24N4O2.
What is the molecular weight of 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is 352.19 g/mol.
Where can I buy 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.