3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine
TL;DR: 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine (CAS 144750-82-3) is a chemical compound with molecular formula C5H5BrN6 and molecular weight 227.98 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]pyrimidine-4,6-diamine
Also Known As: 3-Bromo-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine, 7-Deaza-8-aza-7-bromo-2-amino-adenine, 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine, 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine, 1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, 3-bromo-
| Molecular Formula | C5H5BrN6 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.9759 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 144750-82-3 |
|---|---|
| SMILES | C12=C(NN=C1N=C(N=C2N)N)Br |
| InChIKey | FVOVQYNWRQMJNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine (CAS 144750-82-3), with molecular formula C5H5BrN6 and molecular weight 227.98 g/mol. IUPAC: 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
Chemical Property Profile of 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine
Property Insights of 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine has 3 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 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine?
The CAS number of 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine is 144750-82-3.
What is the molecular formula of 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine?
The molecular formula of 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine is C5H5BrN6.
What is the molecular weight of 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine?
The molecular weight of 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine is 227.98 g/mol.
Where can I buy 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine?
You can request a quote for 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine 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)pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.