(2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
TL;DR: (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid (CAS 88867-96-3) is a chemical compound with molecular formula C11H12N2O6S and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: ((4-nitrophenyl)sulfonyl)-L-proline, N-(4-nitrophenylsulfonyl)proline, N-4-nitrobenzenesulfonyl-L-proline, 1-[(4-nitrophenyl)sulfonyl]proline, L-Proline, 1-[(4-nitrophenyl)sulfonyl]-
| Molecular Formula | C11H12N2O6S |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0416 |
| Heavy Atoms | 20 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 88867-96-3 |
|---|---|
| SMILES | C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | NBPIPGHKYHUOGV-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid (CAS 88867-96-3), with molecular formula C11H12N2O6S and molecular weight 300.04 g/mol. IUPAC: (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
Property Insights of (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 7 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 (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The CAS number of (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid is 88867-96-3.
What is the molecular formula of (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The molecular formula of (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid is C11H12N2O6S.
What is the molecular weight of (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The molecular weight of (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid is 300.04 g/mol.
Where can I buy (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid?
You can request a quote for (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.