![(2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid structure](/static/products/2864/286455-85-4.webp)
(2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid
TL;DR: (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid (CAS 286455-85-4) is a chemical compound with molecular formula C15H21NO4S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: (4-t-butylphenyl)sulfonylproline, ((4-(tert-butyl)phenyl)sulfonyl)proline, HY-W028917, (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid, (2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
| Molecular Formula | C15H21NO4S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.11914 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 286455-85-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | DTTKDYYHVNHFSJ-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid (CAS 286455-85-4), with molecular formula C15H21NO4S and molecular weight 311.12 g/mol. IUPAC: (2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid
Property Insights of (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid has 1 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 (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid?
The CAS number of (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid is 286455-85-4.
What is the molecular formula of (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid?
The molecular formula of (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid is C15H21NO4S.
What is the molecular weight of (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid?
The molecular weight of (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid is 311.12 g/mol.
Where can I buy (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid?
You can request a quote for (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-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-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-1-{[4-(tert-butyl)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.