![8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline structure](/static/products/4288/428835-82-9.webp)
8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline
TL;DR: 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline (CAS 428835-82-9) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-methoxy-3-nitrophenyl)methylsulfanyl]quinoline
Also Known As: 8-[(4-methoxy-3-nitrobenzyl)sulfanyl]quinoline, 8-((4-methoxy-3-nitrobenzyl)thio)quinoline, 8-[(4-methoxy-3-nitrobenzyl)thio]quinoline, 8-(4-Methoxy-3-nitro-benzylsulfanyl)-quinoline, 8-[(4-methoxy-3-nitrophenyl)methylsulfanyl]quinoline
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 428835-82-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | KZAZOCVOZMWDCB-UHFFFAOYSA-N |
Product Overview
8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline (CAS 428835-82-9), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 8-[(4-methoxy-3-nitrophenyl)methylsulfanyl]quinoline.
Chemical Property Profile of 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline
Property Insights of 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline
The XLogP value of 4.0 indicates that 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline. Following Lipinski's Rule of Five, 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline has 0 hydrogen bond donor(s) and 5 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-Methoxy-3-nitrobenzyl)sulfanyl]quinoline?
The CAS number of 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline is 428835-82-9.
What is the molecular formula of 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline?
The molecular formula of 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline is C17H14N2O3S.
What is the molecular weight of 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline?
The molecular weight of 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline is 326.07 g/mol.
Where can I buy 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline?
You can request a quote for 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-Methoxy-3-nitrobenzyl)sulfanyl]quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.