(3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate
TL;DR: (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate (CAS 110216-94-9) is a chemical compound with molecular formula C24H21NO4S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate
Also Known As: (3-benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate, Quinolin-2(1H)-one, 3-benzyl-1-methyl-4-(4-methylphenylsulfonyloxy)-, 3-Benzyl-1-methyl-2-oxo-1,2-dihydro-4-quinolinyl 4-methylbenzenesulfonate #, 3-benzyl-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl 4-methylbenzene-1-sulfonate, RefChem:207524
| Molecular Formula | C24H21NO4S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.11914 |
| Heavy Atoms | 30 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 110216-94-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C3=CC=CC=C32)C)CC4=CC=CC=C4 |
| InChIKey | NHXXIZDAZUREHQ-UHFFFAOYSA-N |
Product Overview
(3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate (CAS 110216-94-9), with molecular formula C24H21NO4S and molecular weight 419.12 g/mol. IUPAC: (3-benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate
Property Insights of (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate
The XLogP value of 4.6 indicates that (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate has 0 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 (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate?
The CAS number of (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate is 110216-94-9.
What is the molecular formula of (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate?
The molecular formula of (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate is C24H21NO4S.
What is the molecular weight of (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate?
The molecular weight of (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate is 419.12 g/mol.
Where can I buy (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate?
You can request a quote for (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.