![2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide structure](/static/products/862/862191-95-5.png)
2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
TL;DR: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (CAS 862191-95-5) 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-(4-bromophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
Also Known As: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide, 2-((1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,5-dimethylphenyl)acetamide, 2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
| Molecular Formula | C21H18BrN5OS |
|---|---|
| Molecular Weight | 467.04 g/mol |
| LogP | 4.92564 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.04153 |
| Heavy Atoms | 29 |
| Complexity | 1189.6285 |
Chemical Identifiers
| CAS Number | 862191-95-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br |
Product Overview
2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (CAS 862191-95-5), with molecular formula C21H18BrN5OS and molecular weight 467.04 g/mol. IUPAC: 2-[1-(4-bromophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide.
Chemical Property Profile of 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
Property Insights of 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
The XLogP value of 4.92564 indicates that 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)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-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)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-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The CAS number of 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is 862191-95-5.
What is the molecular formula of 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The molecular formula of 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is C21H18BrN5OS.
What is the molecular weight of 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The molecular weight of 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is 467.04 g/mol.
Where can I buy 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
You can request a quote for 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)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-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.