![5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/894/894221-23-9.png)
5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 894221-23-9) is a chemical compound with molecular formula C20H19N5OS and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one, 5-{[(4,6-dimethyl-2-pyrimidinyl)thio]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C20H19N5OS |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 3.69716 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.13104 |
| Heavy Atoms | 27 |
| Complexity | 1160.1693 |
Chemical Identifiers
| CAS Number | 894221-23-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=CC=C4)C |
Product Overview
5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 894221-23-9), with molecular formula C20H19N5OS and molecular weight 377.13 g/mol. IUPAC: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 3.69716 indicates that 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one has 1 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 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is 894221-23-9.
What is the molecular formula of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is C20H19N5OS.
What is the molecular weight of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is 377.13 g/mol.
Where can I buy 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.