1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid
TL;DR: 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid (CAS 1009548-94-0) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.0729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-2-carboxylic acid
Also Known As: 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid, 1-[(2-methyl-5-nitrophenyl)sulfonyl]piperidine-2-carboxylic acid, 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-2-carboxylic acid, 1-[(2-METHYL-5-NITROBENZENE)SULFONYL]PIPERIDINE-2-CARBOXYLIC ACID, 1-(2-methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylicacid
Technical Specifications
| Molecular Formula | C13H16N2O6S |
| Molecular Weight | 328.0729 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0729 Da |
| Heavy Atoms | 22 |
| Complexity | 538.0 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2C(=O)O |
| InChIKey | SIFVIHYDTVKSTQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid
Property Insights of 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 7 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-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid?
The CAS number of 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid is 1009548-94-0.
What is the molecular formula of 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid?
The molecular formula of 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid is C13H16N2O6S.
What is the molecular weight of 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid?
The molecular weight of 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid is 328.0729 g/mol.
Where can I buy 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid?
You can request a quote for 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(2-Methyl-5-nitrobenzenesulfonyl)piperidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.