![1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline structure](/static/products/3142/314245-28-8.webp)
1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline
TL;DR: 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline (CAS 314245-28-8) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]quinoline
Also Known As: 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline, 5-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]quinoline, AF-399/14663003, F0745-0290, 5-methyl-1-((2-(5-methyl-2-nitrophenoxy)ethyl)thio)-[1,2,4]triazolo[4,3-a]quinoline
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.57864 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1188.9755 |
Chemical Identifiers
| CAS Number | 314245-28-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])OCCSC2=NN=C3N2C4=CC=CC=C4C(=C3)C |
Product Overview
1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline (CAS 314245-28-8), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: 5-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]quinoline.
Chemical Property Profile of 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline
Property Insights of 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline
The XLogP value of 4.57864 indicates that 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline. Following Lipinski's Rule of Five, 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline has 0 hydrogen bond donor(s) and 6 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 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline?
The CAS number of 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline is 314245-28-8.
What is the molecular formula of 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline?
The molecular formula of 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline is C20H18N4O3S.
What is the molecular weight of 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline?
The molecular weight of 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline is 394.11 g/mol.
Where can I buy 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline?
You can request a quote for 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-5-methyl[1,2,4]triazolo[4,3-a]quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.