Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
TL;DR: Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate (CAS 3005-63-8) is a chemical compound with molecular formula C18H23NO6 and molecular weight 349.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
Also Known As: diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate, diethyl 1-acetyl-5-hydroxy-3-phenyl-2,2-pyrrolidinedicarboxylate, 1-Acetyl-3-phenyl-5-hydroxypyrrolidine-2,2-dicarboxylic acid diethyl ester, 2,2-Diethyl 1-acetyl-5-hydroxy-3-phenyl-2,2-pyrrolidinedicarboxylate, 2,2-DIETHYL 1-ACETYL-5-HYDROXY-3-PHENYLPYRROLIDINE-2,2-DICARBOXYLATE
| Molecular Formula | C18H23NO6 |
|---|---|
| Molecular Weight | 349.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.15253 |
| Heavy Atoms | 25 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 3005-63-8 |
|---|---|
| SMILES | CCOC(=O)C1(C(CC(N1C(=O)C)O)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | QNERVFMVXCWNMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate (CAS 3005-63-8), with molecular formula C18H23NO6 and molecular weight 349.15 g/mol. IUPAC: diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
Property Insights of Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate?
The CAS number of Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate is 3005-63-8.
What is the molecular formula of Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate?
The molecular formula of Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate is C18H23NO6.
What is the molecular weight of Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate?
The molecular weight of Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate is 349.15 g/mol.
Where can I buy Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate?
You can request a quote for Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.