![4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide structure](/static/products/5225/522598-08-9.webp)
4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 522598-08-9) is a chemical compound with molecular formula C22H22N4OS and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide, 3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-[2-[4-(1-methylethoxy)phenyl]-4-quinolinyl]-, 4-ethyl-3-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione, 4-ethyl-5-{2-[4-(methylethoxy)phenyl](4-quinolyl)}-1,2,4-triazole-3-thiol, 4-ethyl-5-{2-[4-(propan-2-yloxy)phenyl]quinolin-4-yl}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C22H22N4OS |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 5.62999 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.15143 |
| Heavy Atoms | 28 |
| Complexity | 1175.339 |
Chemical Identifiers
| CAS Number | 522598-08-9 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC(C)C |
Product Overview
4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 522598-08-9), with molecular formula C22H22N4OS and molecular weight 390.15 g/mol. IUPAC: 4-ethyl-3-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 5.62999 indicates that 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide is 522598-08-9.
What is the molecular formula of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide is C22H22N4OS.
What is the molecular weight of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide is 390.15 g/mol.
Where can I buy 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.