1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone
TL;DR: 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone (CAS 898134-89-9) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone
Also Known As: 1-[(3,4-dimethylphenoxy)acetyl]azocane, 1-(azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone, 1-azaperhydroocinyl-2-(3,4-dimethylphenoxy)ethan-1-one
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.47494 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 448.30325 |
Chemical Identifiers
| CAS Number | 898134-89-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)N2CCCCCCC2)C |
Product Overview
1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone (CAS 898134-89-9), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 1-(azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone.
Chemical Property Profile of 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone
Property Insights of 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone
The XLogP value of 3.47494 indicates that 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone has 0 hydrogen bond donor(s) and 2 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-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
The CAS number of 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone is 898134-89-9.
What is the molecular formula of 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
The molecular formula of 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone is C17H25NO2.
What is the molecular weight of 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
The molecular weight of 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone is 275.19 g/mol.
Where can I buy 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
You can request a quote for 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.