(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate
TL;DR: (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate (CAS 1321831-13-3) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl (E)-3-phenylprop-2-enoate
Also Known As: F2527-0086, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl (E)-3-phenylprop-2-enoate, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl (2E)-3-phenylprop-2-enoate, [6-methyl-3-(methylthio)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl (E)-cinnamate
Technical Specifications
| Molecular Formula | C15H15N3O3S |
| Molecular Weight | 317.0834 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0834 Da |
| Heavy Atoms | 22 |
| Complexity | 522.0 |
| SMILES | CC1=NN=C(N(C1=O)COC(=O)/C=C/C2=CC=CC=C2)SC |
| InChIKey | GBGBVLLXTKIFDQ-CMDGGOBGSA-N |
Chemical Property Profile of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate
Property Insights of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate. Following Lipinski's Rule of Five, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate?
The CAS number of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate is 1321831-13-3.
What is the molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate?
The molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate is C15H15N3O3S.
What is the molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate?
The molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate is 317.0834 g/mol.
Where can I buy (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate?
You can request a quote for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate?
Yes, CoreyChem provides custom synthesis services for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.