Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate
TL;DR: Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate (CAS 66035-85-6) is a chemical compound with molecular formula C12H21NO3 and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-oxo-5-piperidin-1-ylpentanoate
Also Known As: ethyl 5-oxo-5-(piperidin-1-yl)pentanoate, 5-oxo-5-o-tolyl-valeric acid ethyl ester, ethyl 5-oxo-5-piperidin-1-ylpentanoate, 5-Oxo-5-o-tolyl-valeriansaeure-aethylester, 5-Oxo-5-piperidinovaleric acid ethyl ester
| Molecular Formula | C12H21NO3 |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.15215 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 66035-85-6 |
|---|---|
| SMILES | CCOC(=O)CCCC(=O)N1CCCCC1 |
| InChIKey | AMGGNYOQLQTKLW-UHFFFAOYSA-N |
Product Overview
Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate (CAS 66035-85-6), with molecular formula C12H21NO3 and molecular weight 227.15 g/mol. IUPAC: ethyl 5-oxo-5-piperidin-1-ylpentanoate.
Chemical Property Profile of Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate
Property Insights of Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate 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 5-oxo-5-(piperidin-1-yl)pentanoate?
The CAS number of Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate is 66035-85-6.
What is the molecular formula of Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate?
The molecular formula of Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate is C12H21NO3.
What is the molecular weight of Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate?
The molecular weight of Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate is 227.15 g/mol.
Where can I buy Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate?
You can request a quote for Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-oxo-5-(piperidin-1-yl)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.