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4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 5832-74-6) is a chemical compound with molecular formula C11H7ClN4 and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-CHLORO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE, 4-chloro-1-phenylpyrazolo[3,4-d]pyrimidine, 4-chloro-1-phenylpyrazolo[5,4-d]pyrimidine, 4-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidine, 2-AMINO-2-(2-PYRIDYL)ETHANOL DIHYDROCHLORIDE
| Molecular Formula | C11H7ClN4 |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.03592 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 5832-74-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)Cl |
| InChIKey | DEUTZSDRCGEUBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 5832-74-6), with molecular formula C11H7ClN4 and molecular weight 230.04 g/mol. IUPAC: 4-chloro-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine. With a topological polar surface area (TPSA) of 43.6 Ų, 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine 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 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 5832-74-6.
What is the molecular formula of 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is C11H7ClN4.
What is the molecular weight of 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 230.04 g/mol.
Where can I buy 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-Chloro-1-phenyl-1H-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 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.