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1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane
TL;DR: 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane (CAS 300559-79-9) is a chemical compound with molecular formula C17H19N5 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: IFLab1_003987, BAS 00288067, 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane, 4-Azepan-1-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-(azepan-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C17H19N5 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 3.1959 |
| Topological Polar Surface Area | 46.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.16403 |
| Heavy Atoms | 22 |
| Complexity | 757.07513 |
Chemical Identifiers
| CAS Number | 300559-79-9 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4 |
Product Overview
1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane (CAS 300559-79-9), with molecular formula C17H19N5 and molecular weight 293.16 g/mol. IUPAC: 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane
Property Insights of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane
The XLogP value of 3.1959 indicates that 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.84 Ų, 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane has 0 hydrogen bond donor(s) and 4 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-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane?
The CAS number of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane is 300559-79-9.
What is the molecular formula of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane?
The molecular formula of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane is C17H19N5.
What is the molecular weight of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane?
The molecular weight of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane is 293.16 g/mol.
Where can I buy 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane?
You can request a quote for 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.