ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate
TL;DR: ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate (CAS 13992-77-3) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate
Also Known As: TimTec1_006332, ethyl 5-oxo-3-phenyl-2-pyrrolidinecarboxylate, ethyl (3S)-5-oxo-3-phenyl-L-prolinate, ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate, (2S,3S)-Ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 13992-77-3 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@@H](CC(=O)N1)C2=CC=CC=C2 |
| InChIKey | MWCKXXFBEHXSLU-JQWIXIFHSA-N |
Product Overview
ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate (CAS 13992-77-3), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate.
Chemical Property Profile of ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate
Property Insights of ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S,3S)-5-oxo-3-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,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The CAS number of ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate is 13992-77-3.
What is the molecular formula of ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The molecular formula of ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate is C13H15NO3.
What is the molecular weight of ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The molecular weight of ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate is 233.11 g/mol.
Where can I buy ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
You can request a quote for ethyl (2S,3S)-5-oxo-3-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,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.