4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide
TL;DR: 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide (CAS 879436-80-3) is a chemical compound with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
Also Known As: 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide, 4-chloro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide, 4-chloro-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
| Molecular Formula | C21H23ClN2O3S |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.33682 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1118 |
| Heavy Atoms | 28 |
| Complexity | 1152.4794 |
Chemical Identifiers
| CAS Number | 879436-80-3 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=C(C(=O)N2)CN(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide (CAS 879436-80-3), with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol. IUPAC: 4-chloro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide
Property Insights of 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide
The XLogP value of 4.33682 indicates that 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide. Following Lipinski's Rule of Five, 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide has 1 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 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide?
The CAS number of 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide is 879436-80-3.
What is the molecular formula of 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide?
The molecular formula of 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide is C21H23ClN2O3S.
What is the molecular weight of 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide?
The molecular weight of 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide is 418.11 g/mol.
Where can I buy 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide?
You can request a quote for 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-N-isobutylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.