![1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine structure](/static/products/393/393846-29-2.png)
1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
TL;DR: 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine (CAS 393846-29-2) is a chemical compound with molecular formula C22H21ClN6 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine
Also Known As: ChemDiv1_014157, BRD-K31126422-001-01-9, 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine, 4-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine, 4-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C22H21ClN6 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 3.7911 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1516 |
| Heavy Atoms | 29 |
| Complexity | 1101.3276 |
Chemical Identifiers
| CAS Number | 393846-29-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl |
Product Overview
1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine (CAS 393846-29-2), with molecular formula C22H21ClN6 and molecular weight 404.15 g/mol. IUPAC: 4-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
Property Insights of 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
The XLogP value of 3.7911 indicates that 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.08 Ų, 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine has 0 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-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine?
The CAS number of 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine is 393846-29-2.
What is the molecular formula of 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine?
The molecular formula of 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine is C22H21ClN6.
What is the molecular weight of 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine?
The molecular weight of 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine is 404.15 g/mol.
Where can I buy 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine?
You can request a quote for 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.