![3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one structure](/static/products/525/525581-77-5.png)
3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
TL;DR: 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one (CAS 525581-77-5) is a chemical compound with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanyl-6-nitro-4-phenyl-1H-quinolin-2-one
Also Known As: 6-nitro-4-phenyl-3-(p-tolylthio)quinolin-2(1H)-one, 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one, 3-(4-methylphenyl)sulfanyl-6-nitro-4-phenyl-1H-quinolin-2-one, 3-[(4-methylphenyl)thio]-6-nitro-4-phenyl-2(1H)-quinolinone, 3-[(4-methylphenyl)thio]-6-nitro-4-phenylquinolin-2(1H)-one
| Molecular Formula | C22H16N2O3S |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 5.56292 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.08817 |
| Heavy Atoms | 28 |
| Complexity | 1232.5994 |
Chemical Identifiers
| CAS Number | 525581-77-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4 |
Product Overview
3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one (CAS 525581-77-5), with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol. IUPAC: 3-(4-methylphenyl)sulfanyl-6-nitro-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
Property Insights of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
The XLogP value of 5.56292 indicates that 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one. Following Lipinski's Rule of Five, 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one?
The CAS number of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one is 525581-77-5.
What is the molecular formula of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one?
The molecular formula of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one is C22H16N2O3S.
What is the molecular weight of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one?
The molecular weight of 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one is 388.09 g/mol.
Where can I buy 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one?
You can request a quote for 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methylphenyl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.