3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
TL;DR: 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine (CAS 570409-86-8) is a chemical compound with molecular formula C5H4BrN5 and molecular weight 212.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: 3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-amine, 7-Bromo-7-deaza-8-azaadenine, 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, 3-BROMO-, 4-AMINO-3-BROMO-1H-PYRAZOLO[3,4-D]PYRIMIDINE
| Molecular Formula | C5H4BrN5 |
|---|---|
| Molecular Weight | 212.97 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.96501 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 570409-86-8 |
|---|---|
| SMILES | C1=NC2=NNC(=C2C(=N1)N)Br |
| InChIKey | GZQVGSRUUTUJNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine (CAS 570409-86-8), with molecular formula C5H4BrN5 and molecular weight 212.97 g/mol. IUPAC: 3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
Property Insights of 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine. Following Lipinski's Rule of Five, 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine has 2 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-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine?
The CAS number of 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine is 570409-86-8.
What is the molecular formula of 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine?
The molecular formula of 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine is C5H4BrN5.
What is the molecular weight of 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine?
The molecular weight of 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine is 212.97 g/mol.
Where can I buy 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine?
You can request a quote for 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.