(3S)-5-Oxo-3-phenyl-D-proline ethyl ester
TL;DR: (3S)-5-Oxo-3-phenyl-D-proline ethyl ester (CAS 246231-99-2) 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 (2R,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate
Also Known As: (3S)-5-Oxo-3-phenyl-D-proline ethyl ester, Ethyl (3S)-5-oxo-3-phenyl-D-prolinate, ethyl (2R,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate, (2R)-5-Oxo-3alpha-phenylpyrrolidine-2beta-carboxylic acid ethyl ester
| 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 | 246231-99-2 |
|---|---|
| SMILES | CCOC(=O)[C@H]1[C@@H](CC(=O)N1)C2=CC=CC=C2 |
| InChIKey | MWCKXXFBEHXSLU-CMPLNLGQSA-N |
Product Overview
(3S)-5-Oxo-3-phenyl-D-proline ethyl ester (CAS 246231-99-2), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: ethyl (2R,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate.
Chemical Property Profile of (3S)-5-Oxo-3-phenyl-D-proline ethyl ester
Property Insights of (3S)-5-Oxo-3-phenyl-D-proline ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-5-Oxo-3-phenyl-D-proline ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, (3S)-5-Oxo-3-phenyl-D-proline ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-5-Oxo-3-phenyl-D-proline ethyl ester 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 (3S)-5-Oxo-3-phenyl-D-proline ethyl ester?
The CAS number of (3S)-5-Oxo-3-phenyl-D-proline ethyl ester is 246231-99-2.
What is the molecular formula of (3S)-5-Oxo-3-phenyl-D-proline ethyl ester?
The molecular formula of (3S)-5-Oxo-3-phenyl-D-proline ethyl ester is C13H15NO3.
What is the molecular weight of (3S)-5-Oxo-3-phenyl-D-proline ethyl ester?
The molecular weight of (3S)-5-Oxo-3-phenyl-D-proline ethyl ester is 233.11 g/mol.
Where can I buy (3S)-5-Oxo-3-phenyl-D-proline ethyl ester?
You can request a quote for (3S)-5-Oxo-3-phenyl-D-proline ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-5-Oxo-3-phenyl-D-proline ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3S)-5-Oxo-3-phenyl-D-proline ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.