triazin-4-one structure](/static/products/3069/306979-24-8.webp)
2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one
TL;DR: 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one (CAS 306979-24-8) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 12J-568S, 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one, 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methylpyrido[1,2-a][1,3,5]triazin-4-one, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 2-{[4-(tert-butyl)benzyl]sulfanyl}-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
| Molecular Formula | C19H21N3OS |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 3.98772 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.14053 |
| Heavy Atoms | 24 |
| Complexity | 923.98016 |
Chemical Identifiers
| CAS Number | 306979-24-8 |
|---|---|
| SMILES | CC1=CN2C(=NC(=NC2=O)SCC3=CC=C(C=C3)C(C)(C)C)C=C1 |
Product Overview
2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one (CAS 306979-24-8), with molecular formula C19H21N3OS and molecular weight 339.14 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methylpyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one
Property Insights of 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one
The XLogP value of 3.98772 indicates that 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-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, 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-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 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one?
The CAS number of 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one is 306979-24-8.
What is the molecular formula of 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one?
The molecular formula of 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one is C19H21N3OS.
What is the molecular weight of 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one?
The molecular weight of 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one is 339.14 g/mol.
Where can I buy 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one?
You can request a quote for 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-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 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Tert-butyl)benzyl)sulfanyl)-7-methyl-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.