![2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide structure](/static/products/696/696639-54-0.png)
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide
TL;DR: 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide (CAS 696639-54-0) is a chemical compound with molecular formula C15H15N5OS and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide
Also Known As: CBKinase1_008427, CBKinase1_020827, BAS 09531356, BRD-K23598279-001-01-3, 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide
| Molecular Formula | C15H15N5OS |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.6461 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09973 |
| Heavy Atoms | 22 |
| Complexity | 795.98694 |
Chemical Identifiers
| CAS Number | 696639-54-0 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC(=O)NC2=CC=NC3=CC=CC=C32 |
Product Overview
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide (CAS 696639-54-0), with molecular formula C15H15N5OS and molecular weight 313.10 g/mol. IUPAC: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide.
Chemical Property Profile of 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide
Property Insights of 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide
The XLogP value of 2.6461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide. Following Lipinski's Rule of Five, 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide has 2 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 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide?
The CAS number of 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide is 696639-54-0.
What is the molecular formula of 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide?
The molecular formula of 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide is C15H15N5OS.
What is the molecular weight of 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide?
The molecular weight of 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide is 313.10 g/mol.
Where can I buy 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide?
You can request a quote for 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.