![1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one structure](/static/products/863/863448-23-1.png)
1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
TL;DR: 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 863448-23-1) is a chemical compound with molecular formula C17H20N4O and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: F0679-0656, 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 1-tert-butyl-5-[(3-methylphenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 1-tert-butyl-5-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C17H20N4O |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 2.70472 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1637 |
| Heavy Atoms | 22 |
| Complexity | 883.5457 |
Chemical Identifiers
| CAS Number | 863448-23-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C |
Product Overview
1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 863448-23-1), with molecular formula C17H20N4O and molecular weight 296.16 g/mol. IUPAC: 1-tert-butyl-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Property Insights of 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
The XLogP value of 2.70472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one. With a topological polar surface area (TPSA) of 52.71 Ų, 1-(tert-butyl)-5-(3-methylbenzyl)-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, 1-(tert-butyl)-5-(3-methylbenzyl)-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 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The CAS number of 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 863448-23-1.
What is the molecular formula of 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular formula of 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is C17H20N4O.
What is the molecular weight of 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular weight of 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 296.16 g/mol.
Where can I buy 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
You can request a quote for 1-(tert-butyl)-5-(3-methylbenzyl)-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-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-5-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.