Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
TL;DR: Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate (CAS 102831-44-7) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
Also Known As: ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate, ETHYL 1-BENZYL-4-OXO-PYRROLIDINE-3-CARBOXYLATE, Ethyl 1-benzyl-4-pyrrolidone-3-carboxylate, 3-Pyrrolidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, 1-benzyl-3-carboethoxy-4-pyrrolidone
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 102831-44-7 |
|---|---|
| SMILES | CCOC(=O)C1CN(CC1=O)CC2=CC=CC=C2 |
| InChIKey | XLKXIFXOWMGWNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate (CAS 102831-44-7), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
Property Insights of Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-benzyl-4-oxopyrrolidine-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 Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate?
The CAS number of Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate is 102831-44-7.
What is the molecular formula of Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate?
The molecular formula of Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate is C14H17NO3.
What is the molecular weight of Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate?
The molecular weight of Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate is 247.12 g/mol.
Where can I buy Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate?
You can request a quote for Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.