![4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine structure](/static/products/3938/393844-97-8.webp)
4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine
TL;DR: 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine (CAS 393844-97-8) is a chemical compound with molecular formula C17H18ClN5 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine
Also Known As: 4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine, BRD-K48128055-001-10-1, 4-(azepan-1-yl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine, 4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine, 4-azaperhydroepinyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine
| Molecular Formula | C17H18ClN5 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 3.8493 |
| Topological Polar Surface Area | 46.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.12506 |
| Heavy Atoms | 23 |
| Complexity | 803.46674 |
Chemical Identifiers
| CAS Number | 393844-97-8 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine (CAS 393844-97-8), with molecular formula C17H18ClN5 and molecular weight 327.13 g/mol. IUPAC: 4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine
Property Insights of 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine
The XLogP value of 3.8493 indicates that 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.84 Ų, 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine 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 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine is 393844-97-8.
What is the molecular formula of 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine is C17H18ClN5.
What is the molecular weight of 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine is 327.13 g/mol.
Where can I buy 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.