![1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one structure](/static/products/863/863448-24-2.png)
1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
TL;DR: 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one (CAS 863448-24-2) is a chemical compound with molecular formula C16H17ClN4O and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: F0679-0657, 1-tert-butyl-5-[(2-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 1-(tert-butyl)-5-(2-chlorobenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 1-tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C16H17ClN4O |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 3.0497 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1091 |
| Heavy Atoms | 22 |
| Complexity | 889.0326 |
Chemical Identifiers
| CAS Number | 863448-24-2 |
|---|---|
| SMILES | CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=CC=C3Cl |
Product Overview
1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one (CAS 863448-24-2), with molecular formula C16H17ClN4O and molecular weight 316.11 g/mol. IUPAC: 1-tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
Property Insights of 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
The XLogP value of 3.0497 indicates that 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-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-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?
The CAS number of 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one is 863448-24-2.
What is the molecular formula of 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?
The molecular formula of 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one is C16H17ClN4O.
What is the molecular weight of 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?
The molecular weight of 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one is 316.11 g/mol.
Where can I buy 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?
You can request a quote for 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-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-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-5-[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.