![3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one structure](/static/products/5787/578732-67-9.webp)
3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
TL;DR: 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one (CAS 578732-67-9) is a chemical compound with molecular formula C13H17N5OS and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
Also Known As: 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one, 3,3-dimethyl-1-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)butan-2-one, 3,3-dimethyl-1-(4-methyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))butan-2-one, 3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
| Molecular Formula | C13H17N5OS |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 1.9794 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.1154 |
| Heavy Atoms | 20 |
| Complexity | 602.96924 |
Chemical Identifiers
| CAS Number | 578732-67-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=NC=CN=C2 |
Product Overview
3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one (CAS 578732-67-9), with molecular formula C13H17N5OS and molecular weight 291.12 g/mol. IUPAC: 3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one.
Chemical Property Profile of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
Property Insights of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
The XLogP value of 1.9794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one. Following Lipinski's Rule of Five, 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one 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
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one?
The CAS number of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one is 578732-67-9.
What is the molecular formula of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one?
The molecular formula of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one is C13H17N5OS.
What is the molecular weight of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one?
The molecular weight of 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one is 291.12 g/mol.
Where can I buy 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one?
You can request a quote for 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.