![1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine structure](/static/products/5879/58791-64-3.webp)
1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
TL;DR: 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CAS 58791-64-3) is a chemical compound with molecular formula C13H13ClN6 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
Also Known As: 1-(4-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin, 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine, 1-(4-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
| Molecular Formula | C13H13ClN6 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.08902 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 58791-64-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N2C3=NC(=NC(=C3C(=N2)C)N)N |
| InChIKey | BSVJOFRCFKVGSP-UHFFFAOYSA-N |
Product Overview
1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CAS 58791-64-3), with molecular formula C13H13ClN6 and molecular weight 288.09 g/mol. IUPAC: 1-(4-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
Chemical Property Profile of 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Property Insights of 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has 2 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-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The CAS number of 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is 58791-64-3.
What is the molecular formula of 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The molecular formula of 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is C13H13ClN6.
What is the molecular weight of 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The molecular weight of 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is 288.09 g/mol.
Where can I buy 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
You can request a quote for 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.