![2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide structure](/static/products/861/861122-59-0.png)
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide
TL;DR: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide (CAS 861122-59-0) is a chemical compound with molecular formula C21H18BrN5OS and molecular weight 467.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
Also Known As: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide
| Molecular Formula | C21H18BrN5OS |
|---|---|
| Molecular Weight | 467.04 g/mol |
| LogP | 4.67632 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.04153 |
| Heavy Atoms | 29 |
| Complexity | 1162.4252 |
Chemical Identifiers
| CAS Number | 861122-59-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 |
Product Overview
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide (CAS 861122-59-0), with molecular formula C21H18BrN5OS and molecular weight 467.04 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide.
Chemical Property Profile of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide
Property Insights of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide
The XLogP value of 4.67632 indicates that 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)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-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)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-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide?
The CAS number of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide is 861122-59-0.
What is the molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide?
The molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide is C21H18BrN5OS.
What is the molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide?
The molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide is 467.04 g/mol.
Where can I buy 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide?
You can request a quote for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)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-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.