![9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](/static/products/896/896337-66-9.png)
9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
TL;DR: 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-66-9) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-prop-2-ynylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: F2543-0650, 9-methyl-2-(prop-2-yn-1-ylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 9-methyl-2-prop-2-ynylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one, 8-methyl-2-(2-propynylthio)-1,3,4a-triaza-4H-naphthalen-4-one
| Molecular Formula | C11H9N3OS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.12322 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.04663 |
| Heavy Atoms | 16 |
| Complexity | 627.14276 |
Chemical Identifiers
| CAS Number | 896337-66-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SCC#C |
Product Overview
9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 896337-66-9), with molecular formula C11H9N3OS and molecular weight 231.05 g/mol. IUPAC: 9-methyl-2-prop-2-ynylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
Property Insights of 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
The XLogP value of 1.12322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one. With a topological polar surface area (TPSA) of 47.26 Ų, 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one has 0 hydrogen bond donor(s) and 4 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 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The CAS number of 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 896337-66-9.
What is the molecular formula of 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular formula of 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one is C11H9N3OS.
What is the molecular weight of 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
The molecular weight of 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one is 231.05 g/mol.
Where can I buy 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
You can request a quote for 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-2-(prop-2-yn-1-ylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.