2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide
TL;DR: 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide (CAS 62208-80-4) is a chemical compound with molecular formula C11H7ClN4O and molecular weight 246.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-oxido-2-phenylpyrazolo[3,4-d]pyrimidin-5-ium
Also Known As: 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide, 3-Chloro-2-phenyl-2H-pyrazolo(3,4-d)pyrimidine 5-oxide, 3-chloro-5-oxido-2-phenylpyrazolo[3,4-d]pyrimidin-5-ium, 3-Chloro-5-oxo-2-phenyl-2H-5lambda~5~-pyrazolo[3,4-d]pyrimidine, BRN 1122928
| Molecular Formula | C11H7ClN4O |
|---|---|
| Molecular Weight | 246.03 g/mol |
| LogP | 1.7073 |
| Topological Polar Surface Area | 57.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.03084 |
| Heavy Atoms | 17 |
| Complexity | 680.5042 |
Chemical Identifiers
| CAS Number | 62208-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C3C=[N+](C=NC3=N2)[O-])Cl |
Product Overview
2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide (CAS 62208-80-4), with molecular formula C11H7ClN4O and molecular weight 246.03 g/mol. IUPAC: 3-chloro-5-oxido-2-phenylpyrazolo[3,4-d]pyrimidin-5-ium.
Chemical Property Profile of 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide
Property Insights of 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide
The XLogP value of 1.7073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide. With a topological polar surface area (TPSA) of 57.65 Ų, 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide has 0 hydrogen bond donor(s) and 3 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 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide?
The CAS number of 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide is 62208-80-4.
What is the molecular formula of 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide?
The molecular formula of 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide is C11H7ClN4O.
What is the molecular weight of 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide?
The molecular weight of 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide is 246.03 g/mol.
Where can I buy 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide?
You can request a quote for 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyrazolo(3,4-d)pyrimidine, 3-chloro-2-phenyl-, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.