(2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
TL;DR: (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate (CAS 52321-06-9) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2S,5R)-1-benzylpyrrolidine-2,5-dicarboxylate
Also Known As: (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate, Cis-diethyl 1-benzylpyrrolidine-2,5-dicarboxylate, Diethyl cis-1-benzylpyrrolidine-2,5-dicarboxylate, rel-(2R,5S)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate, diethyl (2S,5R)-1-benzylpyrrolidine-2,5-dicarboxylate
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 2.1458 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 476.64023 |
Chemical Identifiers
| CAS Number | 52321-06-9 |
|---|---|
| SMILES | CCOC(=O)[C@H]1CC[C@H](N1CC2=CC=CC=C2)C(=O)OCC |
Product Overview
(2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate (CAS 52321-06-9), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: diethyl (2S,5R)-1-benzylpyrrolidine-2,5-dicarboxylate.
Chemical Property Profile of (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
Property Insights of (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
The XLogP value of 2.1458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate 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 (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate?
The CAS number of (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate is 52321-06-9.
What is the molecular formula of (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate?
The molecular formula of (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate is C17H23NO4.
What is the molecular weight of (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate?
The molecular weight of (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate is 305.16 g/mol.
Where can I buy (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate?
You can request a quote for (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.