(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
TL;DR: (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate (CAS 38160-04-2) is a chemical compound with molecular formula C13H14NO4- and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate, (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C13H14NO4- |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 0.1881 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.09229 |
| Heavy Atoms | 18 |
| Complexity | 454.56396 |
Chemical Identifiers
| CAS Number | 38160-04-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)[O-] |
Product Overview
(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate (CAS 38160-04-2), with molecular formula C13H14NO4- and molecular weight 248.09 g/mol. IUPAC: (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
Property Insights of (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
The XLogP value of 0.1881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate?
The CAS number of (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate is 38160-04-2.
What is the molecular formula of (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate?
The molecular formula of (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate is C13H14NO4-.
What is the molecular weight of (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate?
The molecular weight of (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate is 248.09 g/mol.
Where can I buy (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate?
You can request a quote for (3S)-1-(4-ethoxyphenyl)-5-oxo-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 (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.