![2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide structure](/static/products/872/872590-40-4.png)
2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
TL;DR: 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide (CAS 872590-40-4) is a chemical compound with molecular formula C23H23N5OS and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
Also Known As: 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide, F1874-0977, 2-((1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-phenethylacetamide, 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide, 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethylacetamide
| Molecular Formula | C23H23N5OS |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 3.88334 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.16232 |
| Heavy Atoms | 30 |
| Complexity | 1172.9109 |
Chemical Identifiers
| CAS Number | 872590-40-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCCC4=CC=CC=C4)C |
Product Overview
2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide (CAS 872590-40-4), with molecular formula C23H23N5OS and molecular weight 417.16 g/mol. IUPAC: 2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Property Insights of 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
The XLogP value of 3.88334 indicates that 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide. Following Lipinski's Rule of Five, 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide 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 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide?
The CAS number of 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide is 872590-40-4.
What is the molecular formula of 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide?
The molecular formula of 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide is C23H23N5OS.
What is the molecular weight of 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide?
The molecular weight of 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide is 417.16 g/mol.
Where can I buy 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide?
You can request a quote for 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.