![1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one structure](/static/products/863/863447-58-9.png)
1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
TL;DR: 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 863447-58-9) is a chemical compound with molecular formula C21H26N6O2 and molecular weight 394.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 1-tert-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 1-tert-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one, 1-tert-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C21H26N6O2 |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 1.6968 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.21173 |
| Heavy Atoms | 29 |
| Complexity | 1071.9846 |
Chemical Identifiers
| CAS Number | 863447-58-9 |
|---|---|
| SMILES | CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 863447-58-9), with molecular formula C21H26N6O2 and molecular weight 394.21 g/mol. IUPAC: 1-tert-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Property Insights of 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
The XLogP value of 1.6968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one 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-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The CAS number of 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 863447-58-9.
What is the molecular formula of 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular formula of 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is C21H26N6O2.
What is the molecular weight of 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular weight of 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 394.21 g/mol.
Where can I buy 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
You can request a quote for 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.