Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-
TL;DR: Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 87236-39-3) is a chemical compound with molecular formula C22H14N6O2S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline
Also Known As: 5-Nitro-8-((4-phenyl-5- quinoline, Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-, 5-Nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)quinoline, 5-nitro-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline, 5-Nitro-8-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}quinoline
| Molecular Formula | C22H14N6O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 4.9369 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0899 |
| Heavy Atoms | 31 |
| Complexity | 1389.5896 |
Chemical Identifiers
| CAS Number | 87236-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)C5=CC=NC=C5 |
Product Overview
Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 87236-39-3), with molecular formula C22H14N6O2S and molecular weight 426.09 g/mol. IUPAC: 5-nitro-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline.
Chemical Property Profile of Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-
Property Insights of Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-
The XLogP value of 4.9369 indicates that Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-. Following Lipinski's Rule of Five, Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- has 0 hydrogen bond donor(s) and 7 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 Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-?
The CAS number of Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- is 87236-39-3.
What is the molecular formula of Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular formula of Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- is C22H14N6O2S.
What is the molecular weight of Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular weight of Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- is 426.09 g/mol.
Where can I buy Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-?
You can request a quote for Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.