8-(4-Methylphenylthio)-5-nitroquinoline
TL;DR: 8-(4-Methylphenylthio)-5-nitroquinoline (CAS 38543-77-0) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methylphenyl)sulfanyl-5-nitroquinoline
Also Known As: 8-(4-Methylphenylthio)-5-nitroquinoline, 5-nitro-8-(p-tolylsulfanyl)quinoline, 8-[(4-Methylphenyl)thio]-5-nitroquinoline, 8-(4-methylphenyl)sulfanyl-5-nitroquinoline, 5-Nitro-8-quinolyl-(4'-methylphenyl)sulfide
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 38543-77-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 |
| InChIKey | UBBPYKIWIKZAFD-UHFFFAOYSA-N |
Product Overview
8-(4-Methylphenylthio)-5-nitroquinoline (CAS 38543-77-0), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 8-(4-methylphenyl)sulfanyl-5-nitroquinoline.
Chemical Property Profile of 8-(4-Methylphenylthio)-5-nitroquinoline
Property Insights of 8-(4-Methylphenylthio)-5-nitroquinoline
The XLogP value of 4.5 indicates that 8-(4-Methylphenylthio)-5-nitroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-Methylphenylthio)-5-nitroquinoline. Following Lipinski's Rule of Five, 8-(4-Methylphenylthio)-5-nitroquinoline 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 8-(4-Methylphenylthio)-5-nitroquinoline?
The CAS number of 8-(4-Methylphenylthio)-5-nitroquinoline is 38543-77-0.
What is the molecular formula of 8-(4-Methylphenylthio)-5-nitroquinoline?
The molecular formula of 8-(4-Methylphenylthio)-5-nitroquinoline is C16H12N2O2S.
What is the molecular weight of 8-(4-Methylphenylthio)-5-nitroquinoline?
The molecular weight of 8-(4-Methylphenylthio)-5-nitroquinoline is 296.06 g/mol.
Where can I buy 8-(4-Methylphenylthio)-5-nitroquinoline?
You can request a quote for 8-(4-Methylphenylthio)-5-nitroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-Methylphenylthio)-5-nitroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Methylphenylthio)-5-nitroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.