![4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/393/393844-99-0.png)
4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 393844-99-0) is a chemical compound with molecular formula C18H21N5 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
Also Known As: BRD-K22856291-001-01-0, K405-2280, 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, 4-(azepan-1-yl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine, 4-(azepan-1-yl)-1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C18H21N5 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 3.50432 |
| Topological Polar Surface Area | 46.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1797 |
| Heavy Atoms | 23 |
| Complexity | 815.14496 |
Chemical Identifiers
| CAS Number | 393844-99-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4 |
Product Overview
4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 393844-99-0), with molecular formula C18H21N5 and molecular weight 307.18 g/mol. IUPAC: 4-(azepan-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 3.50432 indicates that 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-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-(3-methylphenyl)-1H-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-(3-methylphenyl)-1H-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-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine is 393844-99-0.
What is the molecular formula of 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine is C18H21N5.
What is the molecular weight of 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine is 307.18 g/mol.
Where can I buy 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-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-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(azepan-1-yl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.