1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid
TL;DR: 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid (CAS 68380-49-4) is a chemical compound with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpyrazolo[3,4-d]pyrimidine-4-carboxylic acid
Also Known As: 1-phenyl-1h-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid, Sid 769296, 1-Phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid, 1-phenylpyrazolo[3,4-d]pyrimidine-4-carboxylic acid, 1H-Pyrazolo(3,4-d)pyrimidine-4-carboxylic acid, 1-phenyl-
| Molecular Formula | C12H8N4O2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.06473 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 68380-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)C(=O)O |
| InChIKey | NVEULXKUFWCQEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid (CAS 68380-49-4), with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol. IUPAC: 1-phenylpyrazolo[3,4-d]pyrimidine-4-carboxylic acid.
Chemical Property Profile of 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid
Property Insights of 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid 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 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid?
The CAS number of 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid is 68380-49-4.
What is the molecular formula of 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid?
The molecular formula of 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid is C12H8N4O2.
What is the molecular weight of 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid?
The molecular weight of 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid is 240.06 g/mol.
Where can I buy 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid?
You can request a quote for 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-pyrazolo(3,4d)pyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.