![3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine structure](/static/products/500/500728-05-2.png)
3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine
TL;DR: 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine (CAS 500728-05-2) is a chemical compound with molecular formula C6H5BrN4S and molecular weight 243.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine
Also Known As: 1h-pyrazolo[3,4-d]pyrimidine,3-bromo-4-(methylthio)-, 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine, 3-bromo-4-(methylsulfanyl)-2h-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C6H5BrN4S |
|---|---|
| Molecular Weight | 243.94 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.94183 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 500728-05-2 |
|---|---|
| SMILES | CSC1=NC=NC2=NNC(=C21)Br |
| InChIKey | YGDDATFNMIVJGG-UHFFFAOYSA-N |
Product Overview
3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine (CAS 500728-05-2), with molecular formula C6H5BrN4S and molecular weight 243.94 g/mol. IUPAC: 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine.
Chemical Property Profile of 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine
Property Insights of 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine has 1 hydrogen bond donor(s) and 4 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 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine is 500728-05-2.
What is the molecular formula of 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine is C6H5BrN4S.
What is the molecular weight of 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine is 243.94 g/mol.
Where can I buy 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.