![1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione structure](/static/products/4985/498571-55-4.webp)
1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
TL;DR: 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione (CAS 498571-55-4) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione
Also Known As: BAS 04914279, 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione, 1-(4-Isopropyl-phenyl)-3-(4H-[1,2,4]triazol-3-ylsulfanyl)-pyrrolidine-2,5-dione, 1-(4-isopropylphenyl)-3-(1H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione, 1-(4-propan-2-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.3523 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 682.0778 |
Chemical Identifiers
| CAS Number | 498571-55-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3 |
Product Overview
1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione (CAS 498571-55-4), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione.
Chemical Property Profile of 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
Property Insights of 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
The XLogP value of 2.3523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione has 1 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 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The CAS number of 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is 498571-55-4.
What is the molecular formula of 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The molecular formula of 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is C15H16N4O2S.
What is the molecular weight of 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The molecular weight of 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is 316.10 g/mol.
Where can I buy 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
You can request a quote for 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-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 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(propan-2-yl)phenyl]-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.