![2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/879/879615-66-4.png)
2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879615-66-4) is a chemical compound with molecular formula C21H19N3OS and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol, 2-methyl-3-phenyl-5-((p-tolylthio)methyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one, 2-methyl-5-{[(4-methylphenyl)thio]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
| Molecular Formula | C21H19N3OS |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | 4.59874 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.12488 |
| Heavy Atoms | 26 |
| Complexity | 1111.9176 |
Chemical Identifiers
| CAS Number | 879615-66-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=CC=C4 |
Product Overview
2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879615-66-4), with molecular formula C21H19N3OS and molecular weight 361.12 g/mol. IUPAC: 2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 4.59874 indicates that 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.16 Ų, 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 3 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 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is 879615-66-4.
What is the molecular formula of 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is C21H19N3OS.
What is the molecular weight of 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is 361.12 g/mol.
Where can I buy 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 2-methyl-5-{[(4-methylphenyl)sulfanyl]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 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.