2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-
TL;DR: 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- (CAS 172469-96-4) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(3,5-dimethylphenyl)sulfanyl-1H-quinolin-2-one
Also Known As: 3-NH-2-Quinolinone, 4-PhS deriv., 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-, 3-amino-4-(3,5-dimethylphenyl)sulfanyl-1H-quinolin-2-one, 2(1H)-Quinolinone, 3-amino-4-[(3,5-dimethylphenyl)thio]-, 3-Amino-4-[(3,5-dimethylphenyl)sulfanyl]quinolin-2(1H)-one
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 172469-96-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SC2=C(C(=O)NC3=CC=CC=C32)N)C |
| InChIKey | GIVHIQBOULOWEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- (CAS 172469-96-4), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 3-amino-4-(3,5-dimethylphenyl)sulfanyl-1H-quinolin-2-one.
Chemical Property Profile of 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-
Property Insights of 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-
The XLogP value of 3.4 indicates that 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-. Following Lipinski's Rule of Five, 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- has 2 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 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-?
The CAS number of 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- is 172469-96-4.
What is the molecular formula of 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-?
The molecular formula of 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- is C17H16N2OS.
What is the molecular weight of 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-?
The molecular weight of 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- is 296.10 g/mol.
Where can I buy 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-?
You can request a quote for 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.