1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde
TL;DR: 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde (CAS 102619-05-6) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde
Also Known As: 1-(p-Toluenesulfonyl)pyrrole-2-aldehyde, 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde, 1-Tosyl-1H-pyrrole-2-carbaldehyde, BETAZOLE, 1-Tosylpyrrole-2-aldehyde
Technical Specifications
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.04596 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 Da |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C=O |
| InChIKey | PJJJROQSNDRWIU-UHFFFAOYSA-N |
Chemical Property Profile of 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde
Property Insights of 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde. Following Lipinski's Rule of Five, 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde has 0 hydrogen bond donor(s) and 3 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-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde?
The CAS number of 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde is 102619-05-6.
What is the molecular formula of 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde?
The molecular formula of 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde is C12H11NO3S.
What is the molecular weight of 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde?
The molecular weight of 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde is 249.04596 g/mol.
Where can I buy 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde?
You can request a quote for 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.