Ethyl (1-benzoyl-4-piperidinylidene)acetate
TL;DR: Ethyl (1-benzoyl-4-piperidinylidene)acetate (CAS 21363-69-9) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-benzoylpiperidin-4-ylidene)acetate
Also Known As: ethyl 2-(1-benzoylpiperidin-4-ylidene)acetate, ethyl (1-benzoyl-4-piperidinylidene)acetate, ethyl 1-benzoyl-(piperidin-4-ylidene)acetate, NCI60_005491, N-benzoyl-4-(carbethoxymethylene) piperidine
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 21363-69-9 |
|---|---|
| SMILES | CCOC(=O)C=C1CCN(CC1)C(=O)C2=CC=CC=C2 |
| InChIKey | BIBSDXWBPGZTKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (1-benzoyl-4-piperidinylidene)acetate (CAS 21363-69-9), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: ethyl 2-(1-benzoylpiperidin-4-ylidene)acetate.
Chemical Property Profile of Ethyl (1-benzoyl-4-piperidinylidene)acetate
Property Insights of Ethyl (1-benzoyl-4-piperidinylidene)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (1-benzoyl-4-piperidinylidene)acetate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl (1-benzoyl-4-piperidinylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1-benzoyl-4-piperidinylidene)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 (1-benzoyl-4-piperidinylidene)acetate?
The CAS number of Ethyl (1-benzoyl-4-piperidinylidene)acetate is 21363-69-9.
What is the molecular formula of Ethyl (1-benzoyl-4-piperidinylidene)acetate?
The molecular formula of Ethyl (1-benzoyl-4-piperidinylidene)acetate is C16H19NO3.
What is the molecular weight of Ethyl (1-benzoyl-4-piperidinylidene)acetate?
The molecular weight of Ethyl (1-benzoyl-4-piperidinylidene)acetate is 273.14 g/mol.
Where can I buy Ethyl (1-benzoyl-4-piperidinylidene)acetate?
You can request a quote for Ethyl (1-benzoyl-4-piperidinylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1-benzoyl-4-piperidinylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1-benzoyl-4-piperidinylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.