rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate
TL;DR: rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate (CAS 155472-17-6) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,4S)-4-benzylpyrrolidine-2-carboxylate
Also Known As: Ethyl 4-benzylpyrrolidine-2-carboxylate, rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate, ethyl (2S,4S)-4-benzylpyrrolidine-2-carboxylate
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 1.7703 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 363.74478 |
Chemical Identifiers
| CAS Number | 155472-17-6 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[C@@H](CN1)CC2=CC=CC=C2 |
Product Overview
rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate (CAS 155472-17-6), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: ethyl (2S,4S)-4-benzylpyrrolidine-2-carboxylate.
Chemical Property Profile of rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate
Property Insights of rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate
The XLogP value of 1.7703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate?
The CAS number of rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate is 155472-17-6.
What is the molecular formula of rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate?
The molecular formula of rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate is C14H19NO2.
What is the molecular weight of rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate?
The molecular weight of rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate is 233.14 g/mol.
Where can I buy rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate?
You can request a quote for rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for rac-ethyl (2R,4R)-4-benzylpyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.