N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
TL;DR: N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CAS 692771-26-9) is a chemical compound with molecular formula C24H21N3O4 and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
Also Known As: N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide, 2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-[4-nitro-2-(phenylcarbonyl)phenyl]acetamide, N-(2-benzoyl-4-nitro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide, N-(2-BENZOYL-4-NITROPHENYL)-2-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]ACETAMIDE, N-[4-nitro-2-(phenylcarbonyl)phenyl]-2-(2-1,2,3,4-tetrahydroisoquinolyl)acetam ide
| Molecular Formula | C24H21N3O4 |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 3.8226 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1532 |
| Heavy Atoms | 31 |
| Complexity | 1144.5712 |
Chemical Identifiers
| CAS Number | 692771-26-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 |
Product Overview
N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CAS 692771-26-9), with molecular formula C24H21N3O4 and molecular weight 415.15 g/mol. IUPAC: N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
Chemical Property Profile of N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
Property Insights of N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
The XLogP value of 3.8226 indicates that N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide. Following Lipinski's Rule of Five, N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has 1 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 N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The CAS number of N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is 692771-26-9.
What is the molecular formula of N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The molecular formula of N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is C24H21N3O4.
What is the molecular weight of N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The molecular weight of N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is 415.15 g/mol.
Where can I buy N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
You can request a quote for N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzoyl-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.