![1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane structure](/static/products/349/349556-11-2.png)
1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane
TL;DR: 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane (CAS 349556-11-2) is a chemical compound with molecular formula C26H30N8 and molecular weight 454.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
Also Known As: 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane, 6-(1-azepanyl)-1-phenyl-4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine, 6-(azepan-1-yl)-1-phenyl-4-(4-(pyridin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine, 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C26H30N8 |
|---|---|
| Molecular Weight | 454.26 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.25934 |
| Heavy Atoms | 34 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 349556-11-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C6=CC=CC=N6 |
| InChIKey | DLUBJJOBCXTABR-UHFFFAOYSA-N |
Product Overview
1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane (CAS 349556-11-2), with molecular formula C26H30N8 and molecular weight 454.26 g/mol. IUPAC: 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane
Property Insights of 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane
The XLogP value of 4.8 indicates that 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane. Following Lipinski's Rule of Five, 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane has 0 hydrogen bond donor(s) and 7 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-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane?
The CAS number of 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane is 349556-11-2.
What is the molecular formula of 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane?
The molecular formula of 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane is C26H30N8.
What is the molecular weight of 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane?
The molecular weight of 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane is 454.26 g/mol.
Where can I buy 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane?
You can request a quote for 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-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-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-phenyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.