![3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole structure](/static/products/5870/587004-31-7.webp)
3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole
TL;DR: 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole (CAS 587004-31-7) is a chemical compound with molecular formula C14H12FN5S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine
Also Known As: 3-[(3-fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole, 2-[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine, 2-(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)pyrazine, 2-(5-((3-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyrazine, 2-[5-(3-Fluoro-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyrazine
| Molecular Formula | C14H12FN5S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.7035 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07974 |
| Heavy Atoms | 21 |
| Complexity | 744.1301 |
Chemical Identifiers
| CAS Number | 587004-31-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=NC=CN=C3 |
Product Overview
3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole (CAS 587004-31-7), with molecular formula C14H12FN5S and molecular weight 301.08 g/mol. IUPAC: 2-[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole
Property Insights of 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole
The XLogP value of 2.7035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole. With a topological polar surface area (TPSA) of 56.49 Ų, 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 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-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole?
The CAS number of 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole is 587004-31-7.
What is the molecular formula of 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole?
The molecular formula of 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole is C14H12FN5S.
What is the molecular weight of 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole?
The molecular weight of 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole is 301.08 g/mol.
Where can I buy 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole?
You can request a quote for 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Fluorophenyl)methylthio]-4-methyl-5-pyrazin-2-yl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.