![5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one structure](/static/products/863/863448-14-0.png)
5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
TL;DR: 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 863448-14-0) is a chemical compound with molecular formula C16H18N4O and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 5-benzyl-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-one, F0679-0647, 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 5-benzyl-1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C16H18N4O |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 2.3963 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.14807 |
| Heavy Atoms | 21 |
| Complexity | 824.84454 |
Chemical Identifiers
| CAS Number | 863448-14-0 |
|---|---|
| SMILES | CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=CC=C3 |
Product Overview
5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 863448-14-0), with molecular formula C16H18N4O and molecular weight 282.15 g/mol. IUPAC: 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Property Insights of 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
The XLogP value of 2.3963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one. With a topological polar surface area (TPSA) of 52.71 Ų, 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one has 0 hydrogen bond donor(s) and 3 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 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The CAS number of 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 863448-14-0.
What is the molecular formula of 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular formula of 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is C16H18N4O.
What is the molecular weight of 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular weight of 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 282.15 g/mol.
Where can I buy 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
You can request a quote for 5-benzyl-1-(tert-butyl)-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 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.