(3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
TL;DR: (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid (CAS 80896-73-7) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
Also Known As: (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, 1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid, I11-0196
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 2.9868 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 597.13007 |
Chemical Identifiers
| CAS Number | 80896-73-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](CN1CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 |
Product Overview
(3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid (CAS 80896-73-7), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
Property Insights of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
The XLogP value of 2.9868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 40.54 Ų, (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid?
The CAS number of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid is 80896-73-7.
What is the molecular formula of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid?
The molecular formula of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid is C18H19NO2.
What is the molecular weight of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid?
The molecular weight of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid is 281.14 g/mol.
Where can I buy (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid?
You can request a quote for (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.