![2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide structure](/static/products/577/577990-38-6.png)
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide
TL;DR: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide (CAS 577990-38-6) is a chemical compound with molecular formula C22H22N6OS and molecular weight 418.16 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-(dimethylamino)phenyl]acetamide
Also Known As: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
| Molecular Formula | C22H22N6OS |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.6714 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1576 |
| Heavy Atoms | 30 |
| Complexity | 1141.4863 |
Chemical Identifiers
| CAS Number | 577990-38-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)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-(dimethylamino)phenyl)acetamide (CAS 577990-38-6), with molecular formula C22H22N6OS and molecular weight 418.16 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.
Chemical Property Profile of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide
Property Insights of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide
The XLogP value of 3.6714 indicates that 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 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-(dimethylamino)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-(dimethylamino)phenyl)acetamide?
The CAS number of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide is 577990-38-6.
What is the molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide?
The molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide is C22H22N6OS.
What is the molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide?
The molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide is 418.16 g/mol.
Where can I buy 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide?
You can request a quote for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)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-(dimethylamino)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.