![[2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate structure](/static/products/4795/479521-69-2.webp)
[2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate
TL;DR: [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate (CAS 479521-69-2) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate
Also Known As: [2-(azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate, 2-(azepan-1-yl)-2-oxoethyl 4-ethylbenzoate
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | 2.8084 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 473.3135 |
Chemical Identifiers
| CAS Number | 479521-69-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2 |
Product Overview
[2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate (CAS 479521-69-2), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: [2-(azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate.
Chemical Property Profile of [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate
Property Insights of [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate
The XLogP value of 2.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate. With a topological polar surface area (TPSA) of 46.61 Ų, [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate 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 [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate?
The CAS number of [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate is 479521-69-2.
What is the molecular formula of [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate?
The molecular formula of [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate is C17H23NO3.
What is the molecular weight of [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate?
The molecular weight of [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate is 289.17 g/mol.
Where can I buy [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate?
You can request a quote for [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.