(2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid (CAS 6279-40-9) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: Tos-Pro-OH, Tosyl-L-proline, N-Tosyl-l-proline, 1-Tosyl-L-Proline, n-tosylproline
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 6279-40-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | CGPHGPCHVUSFFA-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid (CAS 6279-40-9), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-1-(4-methylbenzenesulfonyl)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-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid is 6279-40-9.
What is the molecular formula of (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid is C12H15NO4S.
What is the molecular weight of (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid is 269.07 g/mol.
Where can I buy (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S)-1-(4-methylbenzenesulfonyl)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-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.