1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone
TL;DR: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone (CAS 64302-74-5) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-nitrophenyl)ethanone
Also Known As: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-nitrophenyl)ethanone, 2-[(2-nitrophenyl)acetyl]-1,2,3,4-tetrahydroisoquinoline, 2-(2-nitrophenyl)-1-(2-1,2,3,4-tetrahydroisoquinolyl)ethan-1-one
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 2.7222 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 727.34894 |
Chemical Identifiers
| CAS Number | 64302-74-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone (CAS 64302-74-5), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-nitrophenyl)ethanone.
Chemical Property Profile of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone
Property Insights of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone
The XLogP value of 2.7222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 3 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 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone?
The CAS number of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone is 64302-74-5.
What is the molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone?
The molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone is C17H16N2O3.
What is the molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone?
The molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone is 296.12 g/mol.
Where can I buy 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone?
You can request a quote for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(2-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.