4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone
TL;DR: 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone (CAS 13992-75-1) is a chemical compound with molecular formula C16H19NO5 and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-oxo-3-phenylpyrrolidine-2,2-dicarboxylate
Also Known As: PDCP, diethyl 5-oxo-3-phenylpyrrolidine-2,2-dicarboxylate, 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone, (+/-) 5,5-diethoxycarbonyl-4-phenylpyrrolidin-2-one, 5-Oxo-3-phenylpyrrolidine-2,2-dicarboxylic acid diethyl ester
| Molecular Formula | C16H19NO5 |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.1263 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 13992-75-1 |
|---|---|
| SMILES | CCOC(=O)C1(C(CC(=O)N1)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | RQXLSXSKRKTNTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone (CAS 13992-75-1), with molecular formula C16H19NO5 and molecular weight 305.13 g/mol. IUPAC: diethyl 5-oxo-3-phenylpyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone
Property Insights of 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone. Following Lipinski's Rule of Five, 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone has 1 hydrogen bond donor(s) and 5 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 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone?
The CAS number of 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone is 13992-75-1.
What is the molecular formula of 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone?
The molecular formula of 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone is C16H19NO5.
What is the molecular weight of 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone?
The molecular weight of 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone is 305.13 g/mol.
Where can I buy 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone?
You can request a quote for 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-5,5-dicarbethoxy-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.