![1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone structure](/static/products/7280/728013-73-8.webp)
1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone
TL;DR: 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone (CAS 728013-73-8) is a chemical compound with molecular formula C19H14N4OS and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone
Also Known As: A3841/0163129, 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone, 1-(3-(3-mercapto-5-(quinolin-2-yl)-4H-1,2,4-triazol-4-yl)phenyl)ethanone, 1-{3-[3-(QUINOLIN-2-YL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]PHENYL}ETHAN-1-ONE, 1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethanone
| Molecular Formula | C19H14N4OS |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 4.34769 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.08884 |
| Heavy Atoms | 25 |
| Complexity | 1159.273 |
Chemical Identifiers
| CAS Number | 728013-73-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3 |
Product Overview
1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone (CAS 728013-73-8), with molecular formula C19H14N4OS and molecular weight 346.09 g/mol. IUPAC: 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone.
Chemical Property Profile of 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone
Property Insights of 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone
The XLogP value of 4.34769 indicates that 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone. Following Lipinski's Rule of Five, 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone has 1 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 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone?
The CAS number of 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone is 728013-73-8.
What is the molecular formula of 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone?
The molecular formula of 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone is C19H14N4OS.
What is the molecular weight of 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone?
The molecular weight of 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone is 346.09 g/mol.
Where can I buy 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone?
You can request a quote for 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.