![5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/879/879622-91-0.png)
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879622-91-0) is a chemical compound with molecular formula C20H16ClN3OS and molecular weight 381.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol, 5-(((4-chlorophenyl)thio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-((4-chlorophenylthio)methyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C20H16ClN3OS |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | 4.94372 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.07025 |
| Heavy Atoms | 26 |
| Complexity | 1117.7178 |
Chemical Identifiers
| CAS Number | 879622-91-0 |
|---|---|
| SMILES | CC1=C(C2=NC(=CC(=O)N2N1)CSC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879622-91-0), with molecular formula C20H16ClN3OS and molecular weight 381.07 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 4.94372 indicates that 5-{[(4-chlorophenyl)sulfanyl]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. With a topological polar surface area (TPSA) of 50.16 Ų, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-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, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-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 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is 879622-91-0.
What is the molecular formula of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is C20H16ClN3OS.
What is the molecular weight of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is 381.07 g/mol.
Where can I buy 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 5-{[(4-chlorophenyl)sulfanyl]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-chlorophenyl)sulfanyl]methyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-chlorophenyl)sulfanyl]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.