![1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone structure](/static/products/895/895360-63-1.png)
1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
TL;DR: 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CAS 895360-63-1) is a chemical compound with molecular formula C14H20N4OS and molecular weight 292.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5,7-dimethyl-2-(3-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: 1-(2-(isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone, 1-[5,7-dimethyl-2-(3-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone, 1-{5,7-dimethyl-2-[(3-methylbutyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
| Molecular Formula | C14H20N4OS |
|---|---|
| Molecular Weight | 292.14 g/mol |
| LogP | 3.08194 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.13577 |
| Heavy Atoms | 20 |
| Complexity | 648.1516 |
Chemical Identifiers
| CAS Number | 895360-63-1 |
|---|---|
| SMILES | CC1=C(C(=NC2=NC(=NN12)SCCC(C)C)C)C(=O)C |
Product Overview
1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CAS 895360-63-1), with molecular formula C14H20N4OS and molecular weight 292.14 g/mol. IUPAC: 1-[5,7-dimethyl-2-(3-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
Property Insights of 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
The XLogP value of 3.08194 indicates that 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone. Following Lipinski's Rule of Five, 1-(2-(Isopentylthio)-5,7-dimethyl-[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-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The CAS number of 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is 895360-63-1.
What is the molecular formula of 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The molecular formula of 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is C14H20N4OS.
What is the molecular weight of 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The molecular weight of 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is 292.14 g/mol.
Where can I buy 1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
You can request a quote for 1-(2-(Isopentylthio)-5,7-dimethyl-[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-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Isopentylthio)-5,7-dimethyl-[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.