1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid
TL;DR: 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid (CAS 106058-86-0) is a chemical compound with molecular formula C12H11NO4S and molecular weight 265.0409 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonylpyrrole-3-carboxylic acid
Also Known As: N-Tosyl-3-pyrrolecarboxylic Acid, 1-Tosyl-1H-pyrrole-3-carboxylic acid, N-Tosyl-1H-pyrrole-3-carboxylic acid, Vonoprazan Impurity 82, N-Tosyl-3-pyrrolecarboxylicAcid
Technical Specifications
| Molecular Formula | C12H11NO4S |
| Molecular Weight | 265.0409 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 84.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0409 Da |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)O |
| InChIKey | UYHPMGMXSFLPOF-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid
Property Insights of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid?
The CAS number of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid is 106058-86-0.
What is the molecular formula of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid?
The molecular formula of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid is C12H11NO4S.
What is the molecular weight of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid?
The molecular weight of 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid is 265.0409 g/mol.
Where can I buy 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid?
You can request a quote for 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.