5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate
TL;DR: 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate (CAS 173340-19-7) is a chemical compound with molecular formula C13H14NO3- and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate
Also Known As: 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate, (1'S,3S)-(-)-1-(1'-Phenylethyl)-5-oxopyrrolidine-3-carboxylic acid
| Molecular Formula | C13H14NO3- |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 0.346 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.09737 |
| Heavy Atoms | 17 |
| Complexity | 429.55054 |
Chemical Identifiers
| CAS Number | 173340-19-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)[O-] |
Product Overview
5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate (CAS 173340-19-7), with molecular formula C13H14NO3- and molecular weight 232.10 g/mol. IUPAC: 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate.
Chemical Property Profile of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate
Property Insights of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate
The XLogP value of 0.346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate has 0 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 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
The CAS number of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate is 173340-19-7.
What is the molecular formula of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
The molecular formula of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate is C13H14NO3-.
What is the molecular weight of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
The molecular weight of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate is 232.10 g/mol.
Where can I buy 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
You can request a quote for 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.