3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine
TL;DR: 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine (CAS 78246-18-1) is a chemical compound with molecular formula C12H20N2S and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(2-methylpentyl)-2-methylsulfanylpyrazine
Also Known As: 3-methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine, 3-methyl-5-(2-methylpentyl)-2-methylsulfanylpyrazine, Pyrazine, 3-methyl-5-(2-methylpentyl)-2-(methylthio)-, Pyrazine, 3-methyl-5-(2-methylpentyl)-2-(methylthio), 3-METHYL-5-(2-METHYLPENTYL)-2-(METHYLSULFANYL)PYRAZINE
| Molecular Formula | C12H20N2S |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.13472 |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 78246-18-1 |
|---|---|
| SMILES | CCCC(C)CC1=CN=C(C(=N1)C)SC |
| InChIKey | LJKPXYGPGYYPSW-UHFFFAOYSA-N |
Product Overview
3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine (CAS 78246-18-1), with molecular formula C12H20N2S and molecular weight 224.13 g/mol. IUPAC: 3-methyl-5-(2-methylpentyl)-2-methylsulfanylpyrazine.
Chemical Property Profile of 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine
Property Insights of 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine
The XLogP value of 3.7 indicates that 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine has 0 hydrogen bond donor(s) and 3 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 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine?
The CAS number of 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine is 78246-18-1.
What is the molecular formula of 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine?
The molecular formula of 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine is C12H20N2S.
What is the molecular weight of 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine?
The molecular weight of 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine is 224.13 g/mol.
Where can I buy 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine?
You can request a quote for 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.