N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide
TL;DR: N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide (CAS 844452-95-5) is a chemical compound with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
Also Known As: N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide, N-butyl-4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide, N-butyl-4-chloro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
| Molecular Formula | C21H21ClN2O2 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.624 |
| Topological Polar Surface Area | 53.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.12915 |
| Heavy Atoms | 26 |
| Complexity | 963.65704 |
Chemical Identifiers
| CAS Number | 844452-95-5 |
|---|---|
| SMILES | CCCCN(CC1=CC2=CC=CC=C2NC1=O)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide (CAS 844452-95-5), with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol. IUPAC: N-butyl-4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
Chemical Property Profile of N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide
Property Insights of N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide
The XLogP value of 4.624 indicates that N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.17 Ų, N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide has 1 hydrogen bond donor(s) and 2 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-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide?
The CAS number of N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide is 844452-95-5.
What is the molecular formula of N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide?
The molecular formula of N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide is C21H21ClN2O2.
What is the molecular weight of N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide?
The molecular weight of N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide is 368.13 g/mol.
Where can I buy N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide?
You can request a quote for N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-4-chloro-N-((2-hydroxyquinolin-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.