2-(Azepan-1-yl)-2-oxoethyl benzoate
TL;DR: 2-(Azepan-1-yl)-2-oxoethyl benzoate (CAS 115178-68-2) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(azepan-1-yl)-2-oxoethyl] benzoate
Also Known As: 2-(azepan-1-yl)-2-oxoethyl benzoate, 1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine, [2-(azepan-1-yl)-2-oxoethyl] benzoate, J1.560.599E
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.246 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 422.27664 |
Chemical Identifiers
| CAS Number | 115178-68-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2 |
Product Overview
2-(Azepan-1-yl)-2-oxoethyl benzoate (CAS 115178-68-2), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: [2-(azepan-1-yl)-2-oxoethyl] benzoate.
Chemical Property Profile of 2-(Azepan-1-yl)-2-oxoethyl benzoate
Property Insights of 2-(Azepan-1-yl)-2-oxoethyl benzoate
The XLogP value of 2.246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Azepan-1-yl)-2-oxoethyl benzoate. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(Azepan-1-yl)-2-oxoethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Azepan-1-yl)-2-oxoethyl benzoate 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 benzoate?
The CAS number of 2-(Azepan-1-yl)-2-oxoethyl benzoate is 115178-68-2.
What is the molecular formula of 2-(Azepan-1-yl)-2-oxoethyl benzoate?
The molecular formula of 2-(Azepan-1-yl)-2-oxoethyl benzoate is C15H19NO3.
What is the molecular weight of 2-(Azepan-1-yl)-2-oxoethyl benzoate?
The molecular weight of 2-(Azepan-1-yl)-2-oxoethyl benzoate is 261.14 g/mol.
Where can I buy 2-(Azepan-1-yl)-2-oxoethyl benzoate?
You can request a quote for 2-(Azepan-1-yl)-2-oxoethyl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Azepan-1-yl)-2-oxoethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.