(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid
TL;DR: (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid (CAS 64527-22-6) is a chemical compound with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: ZERO/006266, 1-{[4-(acetylamino)phenyl]sulfonyl}proline, 1-[4-(Acetylamino)phenylsulfonyl]-L-proline, J2.147.603J, (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid
| Molecular Formula | C13H16N2O5S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.078 |
| Heavy Atoms | 21 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 64527-22-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | MLBDVSSNNTVKSP-LBPRGKRZSA-N |
Product Overview
(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid (CAS 64527-22-6), with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol. IUPAC: (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid
Property Insights of (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The CAS number of (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid is 64527-22-6.
What is the molecular formula of (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The molecular formula of (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid is C13H16N2O5S.
What is the molecular weight of (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The molecular weight of (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid is 312.08 g/mol.
Where can I buy (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid?
You can request a quote for (2S)-1-(4-acetamidophenyl)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-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.