1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione
TL;DR: 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione (CAS 543721-03-5) is a chemical compound with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-3-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
Also Known As: 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione, 1-(3-chloro-4-methylphenyl)-3-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione, 1-(3-chloro-4-methylphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione, 1-(3-chloro-4-methylphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}-2,5-pyrrolidinedione, Cambridge id 7118138
| Molecular Formula | C20H17ClN4O2S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.16614 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.07608 |
| Heavy Atoms | 28 |
| Complexity | 1081.5726 |
Chemical Identifiers
| CAS Number | 543721-03-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=NN2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)C)Cl |
Product Overview
1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione (CAS 543721-03-5), with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-3-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione.
Chemical Property Profile of 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione
Property Insights of 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione
The XLogP value of 4.16614 indicates that 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)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-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione?
The CAS number of 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione is 543721-03-5.
What is the molecular formula of 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione?
The molecular formula of 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione is C20H17ClN4O2S.
What is the molecular weight of 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione?
The molecular weight of 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione is 412.08 g/mol.
Where can I buy 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione?
You can request a quote for 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)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-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloro-4-methylphenyl)-3-((5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)pyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.