1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
TL;DR: 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione (CAS 351468-41-2) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione
Also Known As: BAS 01095028, BIM-0034562.P001, 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione, 1-m-Tolyl-3-(4H-[1,2,4]triazol-3-ylsulfanyl)-pyrrolidine-2,5-dione, 3-((4H-1,2,4-triazol-3-yl)thio)-1-(m-tolyl)pyrrolidine-2,5-dione
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.53732 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 656.1506 |
Chemical Identifiers
| CAS Number | 351468-41-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=NC=NN3 |
Product Overview
1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione (CAS 351468-41-2), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 1-(3-methylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione.
Chemical Property Profile of 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
Property Insights of 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
The XLogP value of 1.53732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-methylphenyl)-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-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-(3-methylphenyl)-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-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The CAS number of 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is 351468-41-2.
What is the molecular formula of 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The molecular formula of 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is C13H12N4O2S.
What is the molecular weight of 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The molecular weight of 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is 288.07 g/mol.
Where can I buy 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
You can request a quote for 1-(3-methylphenyl)-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-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methylphenyl)-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.