Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
TL;DR: Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate (CAS 158567-93-2) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
Also Known As: Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate, Ethyl (5R)-5-phenyl-L-prolinate, (2S,5R)-Ethyl 5-phenylpyrrolidine-2-carboxylate, (5R)-5-Phenyl-L-proline ethyl ester, (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.0428 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 350.21005 |
Chemical Identifiers
| CAS Number | 158567-93-2 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1CC[C@@H](N1)C2=CC=CC=C2 |
Product Overview
Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate (CAS 158567-93-2), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate.
Chemical Property Profile of Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
Property Insights of Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
The XLogP value of 2.0428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate has 1 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 (2S,5R)-5-phenylpyrrolidine-2-carboxylate?
The CAS number of Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate is 158567-93-2.
What is the molecular formula of Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate?
The molecular formula of Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate is C13H17NO2.
What is the molecular weight of Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate?
The molecular weight of Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate is 219.13 g/mol.
Where can I buy Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate?
You can request a quote for Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.