Ethyl pipecolylacetate
TL;DR: Ethyl pipecolylacetate (CAS 77306-10-6) 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 3-oxo-3-piperidin-2-ylpropanoate
Also Known As: Ethyl pipecolylacetate, ethyl 3-oxo-3-(piperidin-2-yl)propanoate, ethyl 3-oxo-3-piperidin-2-ylpropanoate, ETHYL-2-PIPERIDINOYL-ACETATE, 3-Oxo-3-piperidin-2-ylpropanoic acid ethyl ester
| Molecular Formula | C10H17NO3 |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.12085 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 77306-10-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1CCCCN1 |
| InChIKey | SFWRZXVUPVPBRO-UHFFFAOYSA-N |
Product Overview
Ethyl pipecolylacetate (CAS 77306-10-6), with molecular formula C10H17NO3 and molecular weight 199.12 g/mol. IUPAC: ethyl 3-oxo-3-piperidin-2-ylpropanoate.
Chemical Property Profile of Ethyl pipecolylacetate
Property Insights of Ethyl pipecolylacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl pipecolylacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl pipecolylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pipecolylacetate has 1 hydrogen bond donor(s) and 4 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 pipecolylacetate?
The CAS number of Ethyl pipecolylacetate is 77306-10-6.
What is the molecular formula of Ethyl pipecolylacetate?
The molecular formula of Ethyl pipecolylacetate is C10H17NO3.
What is the molecular weight of Ethyl pipecolylacetate?
The molecular weight of Ethyl pipecolylacetate is 199.12 g/mol.
Where can I buy Ethyl pipecolylacetate?
You can request a quote for Ethyl pipecolylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pipecolylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pipecolylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.