Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate
TL;DR: Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate (CAS 92486-65-2) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-benzylpyrrolidine-3,4-dicarboxylate
Also Known As: Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate, starbld0049536, cis-Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate, Diethyl (3R,4R)-1-benzylpyrrolidine-3,4-dicarboxylate, Iethyl Cis-1-Benzyl-3,4-Pyrrolidinedicarboxylate
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 1.8608 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 476.64023 |
Chemical Identifiers
| CAS Number | 92486-65-2 |
|---|---|
| SMILES | CCOC(=O)C1CN(CC1C(=O)OCC)CC2=CC=CC=C2 |
Product Overview
Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate (CAS 92486-65-2), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: diethyl 1-benzylpyrrolidine-3,4-dicarboxylate.
Chemical Property Profile of Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate
Property Insights of Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate
The XLogP value of 1.8608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate has 0 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 Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate?
The CAS number of Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate is 92486-65-2.
What is the molecular formula of Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate?
The molecular formula of Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate is C17H23NO4.
What is the molecular weight of Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate?
The molecular weight of Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate is 305.16 g/mol.
Where can I buy Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate?
You can request a quote for Diethyl 1-benzylpyrrolidine-3,4-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-benzylpyrrolidine-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-benzylpyrrolidine-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.