![1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/313/313225-44-4.png)
1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 313225-44-4) is a chemical compound with molecular formula C22H22Cl2N8 and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
Also Known As: 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine, 1-(2,4-dichlorobenzyl)-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, 1-[(2,4-dichlorophenyl)methyl]-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C22H22Cl2N8 |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.13446 |
| Heavy Atoms | 32 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 313225-44-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=C(C=C(C=C5)Cl)Cl)C |
| InChIKey | LDDHAEXRRUSODZ-UHFFFAOYSA-N |
Product Overview
1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 313225-44-4), with molecular formula C22H22Cl2N8 and molecular weight 468.13 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.5 indicates that 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 7 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-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine is 313225-44-4.
What is the molecular formula of 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine is C22H22Cl2N8.
What is the molecular weight of 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine is 468.13 g/mol.
Where can I buy 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-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 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dichlorobenzyl)-4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.