2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline
TL;DR: 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline (CAS 6049-69-0) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline
Also Known As: 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline, 2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline, BAS 00729350, BIM-0042799.P001, (1,4-dinitro-3-phenyl-butan-2-yl)benzene
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 6049-69-0 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C=C1 |
| InChIKey | OTLBYOLXMGMBTN-UHFFFAOYSA-N |
Product Overview
2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline (CAS 6049-69-0), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline.
Chemical Property Profile of 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline
Property Insights of 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline
The XLogP value of 4.0 indicates that 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline 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 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline. Following Lipinski's Rule of Five, 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline 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 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline?
The CAS number of 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline is 6049-69-0.
What is the molecular formula of 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline?
The molecular formula of 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline is C17H14N2O2S.
What is the molecular weight of 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline?
The molecular weight of 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline is 310.08 g/mol.
Where can I buy 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline?
You can request a quote for 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.