Ethyl 2-(2-oxoazepan-1-yl)acetate
TL;DR: Ethyl 2-(2-oxoazepan-1-yl)acetate (CAS 61516-76-5) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-oxoazepan-1-yl)acetate
Also Known As: ethyl (2-oxoazepan-1-yl)acetate, ethyl 2-(2-oxoazepan-1-yl)acetate, ETHYL ACETATE, p-toluenesulfonylfluoride, 859-620-2
| Molecular Formula | C10H17NO3 |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 0.9521 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.12085 |
| Heavy Atoms | 14 |
| Complexity | 215.41264 |
Chemical Identifiers
| CAS Number | 61516-76-5 |
|---|---|
| SMILES | CCOC(=O)CN1CCCCCC1=O |
Product Overview
Ethyl 2-(2-oxoazepan-1-yl)acetate (CAS 61516-76-5), with molecular formula C10H17NO3 and molecular weight 199.12 g/mol. IUPAC: ethyl 2-(2-oxoazepan-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(2-oxoazepan-1-yl)acetate
Property Insights of Ethyl 2-(2-oxoazepan-1-yl)acetate
The XLogP value of 0.9521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-oxoazepan-1-yl)acetate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 2-(2-oxoazepan-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2-oxoazepan-1-yl)acetate 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 Ethyl 2-(2-oxoazepan-1-yl)acetate?
The CAS number of Ethyl 2-(2-oxoazepan-1-yl)acetate is 61516-76-5.
What is the molecular formula of Ethyl 2-(2-oxoazepan-1-yl)acetate?
The molecular formula of Ethyl 2-(2-oxoazepan-1-yl)acetate is C10H17NO3.
What is the molecular weight of Ethyl 2-(2-oxoazepan-1-yl)acetate?
The molecular weight of Ethyl 2-(2-oxoazepan-1-yl)acetate is 199.12 g/mol.
Where can I buy Ethyl 2-(2-oxoazepan-1-yl)acetate?
You can request a quote for Ethyl 2-(2-oxoazepan-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-oxoazepan-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-oxoazepan-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.