![1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid structure](/static/products/3318/331828-49-0.webp)
1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid
TL;DR: 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid (CAS 331828-49-0) is a chemical compound with molecular formula C12H14N2O6S and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylic acid
Also Known As: 1-[(4-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid, 1-(4-Nitro-benzenesulfonyl)-piperidine-4-carboxylic acid, 1-((4-Nitrophenyl)sulfonyl)piperidine-4-carboxylic acid, 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylic acid, BAS 00602905
| Molecular Formula | C12H14N2O6S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.05725 |
| Heavy Atoms | 21 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 331828-49-0 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XNSKDSWGZNOIHJ-UHFFFAOYSA-N |
Product Overview
1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid (CAS 331828-49-0), with molecular formula C12H14N2O6S and molecular weight 314.06 g/mol. IUPAC: 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylic acid.
Chemical Property Profile of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid
Property Insights of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid. Following Lipinski's Rule of Five, 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic 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
Frequently Asked Questions
What is the CAS number of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
The CAS number of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid is 331828-49-0.
What is the molecular formula of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
The molecular formula of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid is C12H14N2O6S.
What is the molecular weight of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
The molecular weight of 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid is 314.06 g/mol.
Where can I buy 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
You can request a quote for 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.