1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
TL;DR: 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione (CAS 371929-92-9) is a chemical compound with molecular formula C14H14N4O4S and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione
Also Known As: BAS 01095030, 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione, 1-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione, 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylthio)-2,5-pyrrolidinedione, 3-((4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dimethoxyphenyl)pyrrolidine-2,5-dione
| Molecular Formula | C14H14N4O4S |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 1.2461 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.07358 |
| Heavy Atoms | 23 |
| Complexity | 734.3834 |
Chemical Identifiers
| CAS Number | 371929-92-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3)OC |
Product Overview
1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione (CAS 371929-92-9), with molecular formula C14H14N4O4S and molecular weight 334.07 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione.
Chemical Property Profile of 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
Property Insights of 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
The XLogP value of 1.2461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione has 1 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The CAS number of 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is 371929-92-9.
What is the molecular formula of 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The molecular formula of 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is C14H14N4O4S.
What is the molecular weight of 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
The molecular weight of 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione is 334.07 g/mol.
Where can I buy 1-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
You can request a quote for 1-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethoxyphenyl)-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.