![3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/898/898796-57-1.png)
3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 898796-57-1) is a chemical compound with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7-ol, 3-(4-chlorophenyl)-2-methyl-5-((p-tolylthio)methyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-(4-Chlorophenyl)-2-methyl-5-[[(4-methylphenyl)thio]methyl]pyrazolo[1,5-a]pyrimidin-7-ol, 3-(4-chlorophenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C21H18ClN3OS |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 5.25214 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.0859 |
| Heavy Atoms | 27 |
| Complexity | 1161.224 |
Chemical Identifiers
| CAS Number | 898796-57-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 898796-57-1), with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol. IUPAC: 3-(4-chlorophenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 5.25214 indicates that 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[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, 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one is 898796-57-1.
What is the molecular formula of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one is C21H18ClN3OS.
What is the molecular weight of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one is 395.09 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[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 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.