1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid
TL;DR: 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid (CAS 62086-04-8) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
Also Known As: 1-(4-methoxybenzenesulfonyl)piperidine-4-carboxylic acid, 1-[(4-Methoxyphenyl)sulfonyl]-4-piperidinecarboxylic acid, Tin trifluoromethanesulfonate, 1-((4-methoxyphenyl)sulfonyl)piperidine-4-carboxylic acid, BAS 03150687
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 62086-04-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O |
| InChIKey | XCSWWTGQHOOLAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid (CAS 62086-04-8), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid.
Chemical Property Profile of 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid
Property Insights of 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid has 1 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 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid?
The CAS number of 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid is 62086-04-8.
What is the molecular formula of 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid?
The molecular formula of 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid is C13H17NO5S.
What is the molecular weight of 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid?
The molecular weight of 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid is 299.08 g/mol.
Where can I buy 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid?
You can request a quote for 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic 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-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.