Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate
TL;DR: Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate (CAS 84839-56-5) is a chemical compound with molecular formula C14H23NO4 and molecular weight 269.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: tert-butyl 4-(2-Ethoxy-2-oxoethyl)-5,6-dihydropyridine-1(2H)-carboxylate, tert-butyl4-(2-ethoxy-2-oxoethyl)-5,6-dihydropyridine-1(2H)-carboxylate-B28590, Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-3,6-dihydro-4(2H)-pyridineacetate, tert-butyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate, tert-butyl 4-(2-ethoxy-2-oxo-ethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
| Molecular Formula | C14H23NO4 |
|---|---|
| Molecular Weight | 269.16 g/mol |
| LogP | 2.5068 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.16272 |
| Heavy Atoms | 19 |
| Complexity | 368.13248 |
Chemical Identifiers
| CAS Number | 84839-56-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CCN(CC1)C(=O)OC(C)(C)C |
Product Overview
Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate (CAS 84839-56-5), with molecular formula C14H23NO4 and molecular weight 269.16 g/mol. IUPAC: tert-butyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
Chemical Property Profile of Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate
Property Insights of Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate
The XLogP value of 2.5068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate. With a topological polar surface area (TPSA) of 55.84 Ų, Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate 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 Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate?
The CAS number of Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate is 84839-56-5.
What is the molecular formula of Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate?
The molecular formula of Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate is C14H23NO4.
What is the molecular weight of Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate?
The molecular weight of Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate is 269.16 g/mol.
Where can I buy Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate?
You can request a quote for Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-((1,1-dimethylethoxy)carbonyl)-3,6-dihydro-4(2H)-pyridineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.