Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
TL;DR: Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone (CAS 725698-05-5) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
Also Known As: BAS 09529846, Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone, 1-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}azepane, azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone, AN-329/43211200
| Molecular Formula | C17H20N2O2 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 3.66622 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.15247 |
| Heavy Atoms | 21 |
| Complexity | 607.9753 |
Chemical Identifiers
| CAS Number | 725698-05-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCCCCC3 |
Product Overview
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone (CAS 725698-05-5), with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol. IUPAC: azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.
Chemical Property Profile of Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
Property Insights of Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
The XLogP value of 3.66622 indicates that Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.34 Ų, Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone has 0 hydrogen bond donor(s) and 3 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 Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone?
The CAS number of Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone is 725698-05-5.
What is the molecular formula of Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone?
The molecular formula of Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone is C17H20N2O2.
What is the molecular weight of Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone?
The molecular weight of Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone is 284.15 g/mol.
Where can I buy Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone?
You can request a quote for Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.