![4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine structure](/static/products/5879/58791-87-0.webp)
4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine
TL;DR: 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine (CAS 58791-87-0) is a chemical compound with molecular formula C11H8ClN5 and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: 1-(3-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine, 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine, 1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine, 1-(3-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine #
| Molecular Formula | C11H8ClN5 |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.04683 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 58791-87-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=NC=NC(=C3C=N2)N |
| InChIKey | ITHHZNCAWKWZBT-UHFFFAOYSA-N |
Product Overview
4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine (CAS 58791-87-0), with molecular formula C11H8ClN5 and molecular weight 245.05 g/mol. IUPAC: 1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine
Property Insights of 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine has 1 hydrogen bond donor(s) and 4 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-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine is 58791-87-0.
What is the molecular formula of 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine is C11H8ClN5.
What is the molecular weight of 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine is 245.05 g/mol.
Where can I buy 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-Amino-1-[m-chlorophenyl]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-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-[m-chlorophenyl]pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.