![1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone structure](/static/products/886/886151-72-0.png)
1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
TL;DR: 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone (CAS 886151-72-0) is a chemical compound with molecular formula C13H18N4OS and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-methyl-2-(3-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone, 1-(2-(isopentylthio)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone, 1-[7-methyl-2-(3-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone, 6-acetyl-7-methyl-2-(3-methylbutylthio)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidin e
| Molecular Formula | C13H18N4OS |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.77352 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.12012 |
| Heavy Atoms | 19 |
| Complexity | 605.95416 |
Chemical Identifiers
| CAS Number | 886151-72-0 |
|---|---|
| SMILES | CC1=C(C=NC2=NC(=NN12)SCCC(C)C)C(=O)C |
Product Overview
1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone (CAS 886151-72-0), with molecular formula C13H18N4OS and molecular weight 278.12 g/mol. IUPAC: 1-[7-methyl-2-(3-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
Property Insights of 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
The XLogP value of 2.77352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone. Following Lipinski's Rule of Five, 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone 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 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
The CAS number of 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone is 886151-72-0.
What is the molecular formula of 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
The molecular formula of 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone is C13H18N4OS.
What is the molecular weight of 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
The molecular weight of 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone is 278.12 g/mol.
Where can I buy 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
You can request a quote for 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{7-methyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.