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7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine
TL;DR: 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine (CAS 5399-95-1) is a chemical compound with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-2H-pyrazolo[4,3-d]pyrimidine
Also Known As: 7-chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine, 7-chloro-3-methyl-2H-pyrazolo[4,3-d]pyrimidine, 7-Chloro-3-Methylpyrazolo[4,3-d]Pyrimidine, 1H-Pyrazolo[4,3-d]pyrimidine, 7-chloro-3-methyl-, 7-chloro-3-methyl-1H-pyrazolo(4,3-d)pyrimidine
| Molecular Formula | C6H5ClN4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.02028 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 5399-95-1 |
|---|---|
| SMILES | CC1=C2C(=NN1)C(=NC=N2)Cl |
| InChIKey | PVLXFOBJWRGYFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine (CAS 5399-95-1), with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol. IUPAC: 7-chloro-3-methyl-2H-pyrazolo[4,3-d]pyrimidine.
Chemical Property Profile of 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine
Property Insights of 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine. With a topological polar surface area (TPSA) of 54.5 Ų, 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine has 1 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 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine?
The CAS number of 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine is 5399-95-1.
What is the molecular formula of 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine?
The molecular formula of 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine is C6H5ClN4.
What is the molecular weight of 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine?
The molecular weight of 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine is 168.02 g/mol.
Where can I buy 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine?
You can request a quote for 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-methyl-1h-pyrazolo[4,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.