N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide
TL;DR: N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide (CAS 382653-48-7) is a chemical compound with molecular formula C23H14N4O4 and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyano-7-nitro-1-oxo-2-phenylisoquinolin-3-yl)benzamide
Also Known As: N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide, N-(4-cyano-7-nitro-1-oxo-2-phenylisoquinolin-3-yl)benzamide
| Molecular Formula | C23H14N4O4 |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 4.02288 |
| Topological Polar Surface Area | 118.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.1015 |
| Heavy Atoms | 31 |
| Complexity | 1421.6732 |
Chemical Identifiers
| CAS Number | 382653-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4)C#N |
Product Overview
N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide (CAS 382653-48-7), with molecular formula C23H14N4O4 and molecular weight 410.10 g/mol. IUPAC: N-(4-cyano-7-nitro-1-oxo-2-phenylisoquinolin-3-yl)benzamide.
Chemical Property Profile of N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide
Property Insights of N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide
The XLogP value of 4.02288 indicates that N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide. Following Lipinski's Rule of Five, N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide 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-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide?
The CAS number of N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide is 382653-48-7.
What is the molecular formula of N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide?
The molecular formula of N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide is C23H14N4O4.
What is the molecular weight of N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide?
The molecular weight of N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide is 410.10 g/mol.
Where can I buy N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide?
You can request a quote for N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-cyano-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.