N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide
TL;DR: N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide (CAS 672341-41-2) is a chemical compound with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
Also Known As: N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide, N-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide, N-butyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4-nitrobenzamide
| Molecular Formula | C22H23N3O4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 4.18722 |
| Topological Polar Surface Area | 96.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.16885 |
| Heavy Atoms | 29 |
| Complexity | 1103.2356 |
Chemical Identifiers
| CAS Number | 672341-41-2 |
|---|---|
| SMILES | CCCCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide (CAS 672341-41-2), with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol. IUPAC: N-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide.
Chemical Property Profile of N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide
Property Insights of N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide
The XLogP value of 4.18722 indicates that N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 4 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-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide?
The CAS number of N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide is 672341-41-2.
What is the molecular formula of N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide?
The molecular formula of N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide is C22H23N3O4.
What is the molecular weight of N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide?
The molecular weight of N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide is 393.17 g/mol.
Where can I buy N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide?
You can request a quote for N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.