(S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate
TL;DR: (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate (CAS 1314419-65-2) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.15 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 (3S)-pyrrolidine-1,3-dicarboxylate
Also Known As: (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate, N-Boc-L-beta-proline ethyl ester, Ethyl1-Boc-3-pyrrolidinecarboxylate, Ethyl 1-Boc-3-pyrrolidinecarboxylate, Ethyl (S)-1-Boc-3-pyrrolidinecarboxylate
| Molecular Formula | C12H21NO4 |
|---|---|
| Molecular Weight | 243.15 g/mol |
| LogP | 1.8065 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.14706 |
| Heavy Atoms | 17 |
| Complexity | 295.37097 |
Chemical Identifiers
| CAS Number | 1314419-65-2 |
|---|---|
| SMILES | CCOC(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C |
Product Overview
(S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate (CAS 1314419-65-2), with molecular formula C12H21NO4 and molecular weight 243.15 g/mol. IUPAC: 1-O-tert-butyl 3-O-ethyl (3S)-pyrrolidine-1,3-dicarboxylate.
Chemical Property Profile of (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate
Property Insights of (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate
The XLogP value of 1.8065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate 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 (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate?
The CAS number of (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate is 1314419-65-2.
What is the molecular formula of (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate?
The molecular formula of (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate is C12H21NO4.
What is the molecular weight of (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate?
The molecular weight of (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate is 243.15 g/mol.
Where can I buy (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate?
You can request a quote for (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.