(3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
TL;DR: (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid (CAS 154205-80-8) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
Also Known As: 1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic Acid, I11-0169, (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid, Trans-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.895 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 730.4438 |
Chemical Identifiers
| CAS Number | 154205-80-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](CN1CC2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid (CAS 154205-80-8), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
Property Insights of (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 2.895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-(4-nitrophenyl)pyrrolidine-3-carboxylic acid?
The CAS number of (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid is 154205-80-8.
What is the molecular formula of (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid is C18H18N2O4.
What is the molecular weight of (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid is 326.13 g/mol.
Where can I buy (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-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-(4-nitrophenyl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.