2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate
TL;DR: 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate (CAS 685848-30-0) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-piperidin-1-ylethyl) 4-ethoxybenzoate
Also Known As: TimTec1_007398, 2-oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate, IDI1_033052, (2-oxo-2-piperidin-1-ylethyl) 4-ethoxybenzoate, 2-oxo-2-piperidylethyl 4-ethoxybenzoate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 685848-30-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCC2 |
| InChIKey | AOMZMBZJXPBXAQ-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate (CAS 685848-30-0), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: (2-oxo-2-piperidin-1-ylethyl) 4-ethoxybenzoate.
Chemical Property Profile of 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate
Property Insights of 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate has 0 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 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate?
The CAS number of 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate is 685848-30-0.
What is the molecular formula of 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate?
The molecular formula of 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate is C16H21NO4.
What is the molecular weight of 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate?
The molecular weight of 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate is 291.15 g/mol.
Where can I buy 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate?
You can request a quote for 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(1-piperidinyl)ethyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.