![1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone structure](/static/products/850/850735-91-0.webp)
1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
TL;DR: 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone (CAS 850735-91-0) is a chemical compound with molecular formula C21H18N4O3S and molecular weight 406.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
Also Known As: 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone, 1-(3,4-dimethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone, 1-(3,4-dimethoxyphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]ethanone
Technical Specifications
| Molecular Formula | C21H18N4O3S |
| Molecular Weight | 406.10995 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.10995 Da |
| Heavy Atoms | 29 |
| Complexity | 548.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC |
| InChIKey | MJUDBCYWPLNTFU-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
Property Insights of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
The XLogP value of 4.0 indicates that 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The CAS number of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 850735-91-0.
What is the molecular formula of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular formula of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is C21H18N4O3S.
What is the molecular weight of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular weight of 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 406.10995 g/mol.
Where can I buy 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
You can request a quote for 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-dimethoxyphenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.