1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane
TL;DR: 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane (CAS 1004062-82-1) is a chemical compound with molecular formula C21H25N5 and molecular weight 347.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]azepane
Also Known As: 1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]azepane, 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane, 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]azepane
| Molecular Formula | C21H25N5 |
|---|---|
| Molecular Weight | 347.21 g/mol |
| LogP | 4.32654 |
| Topological Polar Surface Area | 46.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.211 |
| Heavy Atoms | 26 |
| Complexity | 876.672 |
Chemical Identifiers
| CAS Number | 1004062-82-1 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC(=CC(=N2)N3CCCCCC3)C4=CC=CC=C4)C |
Product Overview
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane (CAS 1004062-82-1), with molecular formula C21H25N5 and molecular weight 347.21 g/mol. IUPAC: 1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]azepane.
Chemical Property Profile of 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane
Property Insights of 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane
The XLogP value of 4.32654 indicates that 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-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-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-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-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane?
The CAS number of 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane is 1004062-82-1.
What is the molecular formula of 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane?
The molecular formula of 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane is C21H25N5.
What is the molecular weight of 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane?
The molecular weight of 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane is 347.21 g/mol.
Where can I buy 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane?
You can request a quote for 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-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-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.