![3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione structure](/static/products/4893/489396-56-7.webp)
3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione
TL;DR: 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione (CAS 489396-56-7) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione
Also Known As: 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione, 3-((5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylpyrrolidine-2,5-dione, 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione, 3-[5-(4-methoxyphenyl)(4H-1,2,4-triazol-3-ylthio)]-1-phenylazolidine-2,5-dione
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 2.9045 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 972.1345 |
Chemical Identifiers
| CAS Number | 489396-56-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NN2)SC3CC(=O)N(C3=O)C4=CC=CC=C4 |
Product Overview
3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione (CAS 489396-56-7), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione.
Chemical Property Profile of 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione
Property Insights of 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione
The XLogP value of 2.9045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione has 1 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 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione?
The CAS number of 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione is 489396-56-7.
What is the molecular formula of 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione?
The molecular formula of 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione is C19H16N4O3S.
What is the molecular weight of 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione?
The molecular weight of 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione is 380.09 g/mol.
Where can I buy 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione?
You can request a quote for 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.