1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one
TL;DR: 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one (CAS 866726-33-2) is a chemical compound with molecular formula C24H20FNO3S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-1-[(2,5-dimethylphenyl)methyl]-6-fluoroquinolin-4-one
Also Known As: 3-(benzenesulfonyl)-1-[(2,5-dimethylphenyl)methyl]-6-fluoro-1,4-dihydroquinolin-4-one, F1604-0422, 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one, 3-(benzenesulfonyl)-1-[(2,5-dimethylphenyl)methyl]-6-fluoroquinolin-4-one, 3-(benzenesulfonyl)-1-[(2,5-dimethylphenyl)methyl]-6-fluoro-quinolin-4-one
| Molecular Formula | C24H20FNO3S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 4.63854 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.1148 |
| Heavy Atoms | 30 |
| Complexity | 1424.5526 |
Chemical Identifiers
| CAS Number | 866726-33-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one (CAS 866726-33-2), with molecular formula C24H20FNO3S and molecular weight 421.11 g/mol. IUPAC: 3-(benzenesulfonyl)-1-[(2,5-dimethylphenyl)methyl]-6-fluoroquinolin-4-one.
Chemical Property Profile of 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one
Property Insights of 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one
The XLogP value of 4.63854 indicates that 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.14 Ų, 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one has 0 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 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one?
The CAS number of 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one is 866726-33-2.
What is the molecular formula of 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one?
The molecular formula of 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one is C24H20FNO3S.
What is the molecular weight of 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one?
The molecular weight of 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one is 421.11 g/mol.
Where can I buy 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one?
You can request a quote for 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-dimethylbenzyl)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.