![4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid structure](/static/products/4544/454473-66-6.webp)
4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid
TL;DR: 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid (CAS 454473-66-6) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 6-Methyl-1-indanone, 4-Hydroxy-1-tosylpyrrolidine-2-carboxylic acid, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid, 5214AD, BAS 00227648
| Molecular Formula | C12H15NO5S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0671 |
| Heavy Atoms | 19 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 454473-66-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)O |
| InChIKey | UAFPTDLCLKLJKA-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid (CAS 454473-66-6), with molecular formula C12H15NO5S and molecular weight 285.07 g/mol. IUPAC: 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid
Property Insights of 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid. Following Lipinski's Rule of Five, 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic 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 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid?
The CAS number of 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid is 454473-66-6.
What is the molecular formula of 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid?
The molecular formula of 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid is C12H15NO5S.
What is the molecular weight of 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid?
The molecular weight of 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid is 285.07 g/mol.
Where can I buy 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid?
You can request a quote for 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.