4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
TL;DR: 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine (CAS 98141-42-5) is a chemical compound with molecular formula C6H4Cl2N4 and molecular weight 201.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine
Also Known As: 4,6-dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine, 4,6-dichloro-1-methylpyrazolo[3,4-d]pyrimidine, 4,6-dichloro-1-methyl-pyrazolo[3,4-d]pyrimidine, 1H-PYRAZOLO[3,4-D]PYRIMIDINE, 4,6-DICHLORO-1-METHYL-, 1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-1-methyl-
| Molecular Formula | C6H4Cl2N4 |
|---|---|
| Molecular Weight | 201.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.98131 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 98141-42-5 |
|---|---|
| SMILES | CN1C2=C(C=N1)C(=NC(=N2)Cl)Cl |
| InChIKey | TYMWHTJGWKSXRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine (CAS 98141-42-5), with molecular formula C6H4Cl2N4 and molecular weight 201.98 g/mol. IUPAC: 4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
Property Insights of 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine. With a topological polar surface area (TPSA) of 43.6 Ų, 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-dichloro-1-methyl-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 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine?
The CAS number of 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine is 98141-42-5.
What is the molecular formula of 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine?
The molecular formula of 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine is C6H4Cl2N4.
What is the molecular weight of 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine?
The molecular weight of 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine is 201.98 g/mol.
Where can I buy 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine?
You can request a quote for 4,6-dichloro-1-methyl-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 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.