1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
TL;DR: 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate (CAS 98977-34-5) is a chemical compound with molecular formula C13H21NO5 and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 3-O-ethyl 4-oxopiperidine-1,3-dicarboxylate
Also Known As: N-Boc-3-Carboethoxy-4-piperidone, 1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate, Ethyl N-Boc-4-oxopiperidine-3-carboxylate, N-boc-3-carboethxoy-4-piperidone, 1-N-Boc-3-carbethoxy-4-piperidone
| Molecular Formula | C13H21NO5 |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 1.3756 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.14197 |
| Heavy Atoms | 19 |
| Complexity | 371.7201 |
Chemical Identifiers
| CAS Number | 98977-34-5 |
|---|---|
| SMILES | CCOC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C |
Product Overview
1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate (CAS 98977-34-5), with molecular formula C13H21NO5 and molecular weight 271.14 g/mol. IUPAC: 1-O-tert-butyl 3-O-ethyl 4-oxopiperidine-1,3-dicarboxylate.
Chemical Property Profile of 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
Property Insights of 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
The XLogP value of 1.3756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate has 0 hydrogen bond donor(s) and 5 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 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate?
The CAS number of 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate is 98977-34-5.
What is the molecular formula of 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate?
The molecular formula of 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate is C13H21NO5.
What is the molecular weight of 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate?
The molecular weight of 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate is 271.14 g/mol.
Where can I buy 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate?
You can request a quote for 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.